4-(3-octadecoxyphenyl)phenol

C30H46O2 — CID 91091323

IUPAC4-(3-octadecoxyphenyl)phenol
SMILESCCCCCCCCCCCCCCCCCCOc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C30H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-32-30-20-18-19-28(26-30)27-21-23-29(31)24-22-27/h18-24,26,31H,2-17,25H2,1H3
InChIKeyIWVPJOJIJATBBM-UHFFFAOYSA-N
MW438.70 g/mol
LogP9.70
Rot. Bonds19

About 4-(3-octadecoxyphenyl)phenol

4-(3-octadecoxyphenyl)phenol (PubChem CID 91091323) has the molecular formula C30H46O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is 4-(3-octadecoxyphenyl)phenol.

Molecular Properties

Compound Name4-(3-octadecoxyphenyl)phenol
PubChem CID91091323
Molecular FormulaC30H46O2
Molecular Weight438.70 g/mol
Exact Mass438.35
IUPAC Name4-(3-octadecoxyphenyl)phenol
SMILESCCCCCCCCCCCCCCCCCCOc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C30H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-32-30-20-18-19-28(26-30)27-21-23-29(31)24-22-27/h18-24,26,31H,2-17,25H2,1H3
InChIKeyIWVPJOJIJATBBM-UHFFFAOYSA-N
XLogP9.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
3-dodecoxyphenol
CID 15719132
2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl 4-(3-pentoxyphenyl)benzoate
CID 134446759
1,3-dihexadecoxybenzene
CID 12686834
1-oxido-4-(3-undecoxyphenyl)pyridin-1-ium
CID 156692937
1-hexoxy-3-[4-[(Z)-prop-1-enyl]phenyl]benzene;hydroiodide
CID 142267650
4-octadecoxyphenol
CID 22179059
2-(3-hexoxyphenyl)-5-(4-hexoxyphenyl)pyrimidine
CID 19386230
ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
CID 174425410
[4-[3-[4-(4-dodecoxyphenyl)benzoyl]oxyphenyl]phenyl] 4-(4-dodecoxyphenyl)benzoate
CID 102441735
[4-[3-[4-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenyl] 4-octoxybenzoate
CID 102071980
formic acid;3-hexoxyphenol
CID 174800460

Frequently Asked Questions

What is the IUPAC name of 4-(3-octadecoxyphenyl)phenol?
The IUPAC name of 4-(3-octadecoxyphenyl)phenol (CID 91091323) is 4-(3-octadecoxyphenyl)phenol.
What is the SMILES notation for 4-(3-octadecoxyphenyl)phenol?
The canonical SMILES for 4-(3-octadecoxyphenyl)phenol is CCCCCCCCCCCCCCCCCCOc1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-(3-octadecoxyphenyl)phenol?
The InChIKey is IWVPJOJIJATBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-32-30-20-18-19-28(26-30)27-21-23-29(31)24-22-27/h18-24,26,31H,2-17,25H2,1H3.
What are the key properties of 4-(3-octadecoxyphenyl)phenol?
4-(3-octadecoxyphenyl)phenol has a molecular weight of 438.70 g/mol, XLogP of 9.70, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-octadecoxyphenyl)phenol is sourced from PubChem (CID 91091323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).