4-octadecoxyphenol

C24H42O2 — CID 22179059

IUPAC4-octadecoxyphenol
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(O)cc1
InChIInChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-24-20-18-23(25)19-21-24/h18-21,25H,2-17,22H2,1H3
InChIKeyZKWFHUYRPNGFQC-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.03
Rot. Bonds18

About 4-octadecoxyphenol

4-octadecoxyphenol (PubChem CID 22179059) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 4-octadecoxyphenol.

Molecular Properties

Compound Name4-octadecoxyphenol
PubChem CID22179059
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name4-octadecoxyphenol
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(O)cc1
InChIInChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-24-20-18-23(25)19-21-24/h18-21,25H,2-17,22H2,1H3
InChIKeyZKWFHUYRPNGFQC-UHFFFAOYSA-N
XLogP8.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.03
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

4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
4-(4-tetradecoxyphenyl)tellanylphenol
CID 10255753
4-(4-tetradecoxyanilino)phenol
CID 174780996
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol
CID 72958463
1,4-dipentoxybenzene
CID 18314717
4-(6-methyldecoxy)phenol
CID 14495583

Frequently Asked Questions

What is the IUPAC name of 4-octadecoxyphenol?
The IUPAC name of 4-octadecoxyphenol (CID 22179059) is 4-octadecoxyphenol.
What is the SMILES notation for 4-octadecoxyphenol?
The canonical SMILES for 4-octadecoxyphenol is CCCCCCCCCCCCCCCCCCOc1ccc(O)cc1.
What is the InChIKey of 4-octadecoxyphenol?
The InChIKey is ZKWFHUYRPNGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-24-20-18-23(25)19-21-24/h18-21,25H,2-17,22H2,1H3.
What are the key properties of 4-octadecoxyphenol?
4-octadecoxyphenol has a molecular weight of 362.60 g/mol, XLogP of 8.03, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octadecoxyphenol is sourced from PubChem (CID 22179059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).