4-hexadecan-7-ylphenol

C22H38O — CID 71320883

IUPAC4-hexadecan-7-ylphenol
SMILESCCCCCCCCCC(CCCCCC)c1ccc(O)cc1
InChIInChI=1S/C22H38O/c1-3-5-7-9-10-11-13-15-20(14-12-8-6-4-2)21-16-18-22(23)19-17-21/h16-20,23H,3-15H2,1-2H3
InChIKeyGIGCXFRDXIWGKZ-UHFFFAOYSA-N
MW318.55 g/mol
LogP7.59
Rot. Bonds14

About 4-hexadecan-7-ylphenol

4-hexadecan-7-ylphenol (PubChem CID 71320883) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 4-hexadecan-7-ylphenol.

Molecular Properties

Compound Name4-hexadecan-7-ylphenol
PubChem CID71320883
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name4-hexadecan-7-ylphenol
SMILESCCCCCCCCCC(CCCCCC)c1ccc(O)cc1
InChIInChI=1S/C22H38O/c1-3-5-7-9-10-11-13-15-20(14-12-8-6-4-2)21-16-18-22(23)19-17-21/h16-20,23H,3-15H2,1-2H3
InChIKeyGIGCXFRDXIWGKZ-UHFFFAOYSA-N
XLogP7.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-hexadecan-7-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-undecan-6-ylphenol
CID 66867197
4-dodecan-3-ylphenol
CID 12820022
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
4-(1-hydroxytridecyl)phenol
CID 57120972
4-(1-aminododecyl)phenol
CID 174770403
1-methyl-4-undecan-6-ylbenzene
CID 54207407
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
4-(2-methylnon-2-en-4-yl)phenol
CID 134964205
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
1-ethyl-4-undecan-4-ylbenzene
CID 14568440

Frequently Asked Questions

What is the IUPAC name of 4-hexadecan-7-ylphenol?
The IUPAC name of 4-hexadecan-7-ylphenol (CID 71320883) is 4-hexadecan-7-ylphenol.
What is the SMILES notation for 4-hexadecan-7-ylphenol?
The canonical SMILES for 4-hexadecan-7-ylphenol is CCCCCCCCCC(CCCCCC)c1ccc(O)cc1.
What is the InChIKey of 4-hexadecan-7-ylphenol?
The InChIKey is GIGCXFRDXIWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-3-5-7-9-10-11-13-15-20(14-12-8-6-4-2)21-16-18-22(23)19-17-21/h16-20,23H,3-15H2,1-2H3.
What are the key properties of 4-hexadecan-7-ylphenol?
4-hexadecan-7-ylphenol has a molecular weight of 318.55 g/mol, XLogP of 7.59, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecan-7-ylphenol is sourced from PubChem (CID 71320883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).