| Entry |
|
|---|
| Name |
4-Octylphenol;
4-n-Octylphenol;
p-Octylphenol
|
|---|
| Formula |
C14H22O
|
|---|
| Exact mass |
206.1671
|
|---|
| Mol weight |
206.3239
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK15 Phenolic lipids
PK1501 Alkyl phenols and derivatives
C14132 4-Octylphenol
Endocrine disrupting compounds [BR:br08006]
Plasticizers and plastics
Alkylphenols
C14132 4-Octylphenol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 15
1 C8x C 24.5927 -15.5480
2 C8x C 25.8297 -17.6416
3 C8x C 23.4541 -16.2624
4 C8x C 24.6212 -18.3560
5 C8y C 25.8154 -16.2376
6 C8y C 23.4681 -17.6662
7 C1a C 35.5421 -16.1389
8 C1b C 27.0242 -15.5232
9 C1b C 34.3190 -15.4492
10 C1b C 28.2471 -16.2131
11 C1b C 33.1104 -16.1636
12 C1b C 29.4558 -15.4987
13 C1b C 31.8874 -15.4740
14 C1b C 30.6787 -16.1883
15 O1a O 22.1894 -18.3805
BOND 15
1 1 3 2
2 1 5 1
3 2 4 1
4 2 5 2
5 3 6 1
6 4 6 2
7 5 8 1
8 6 15 1
9 7 9 1
10 8 10 1
11 9 11 1
12 10 12 1
13 11 13 1
14 12 14 1
15 13 14 1
|
|---|
