2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol

C24H30O2 — CID 68964944

IUPAC2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
SMILESCCCCCCc1cc(C2=CCC(c3ccc(O)cc3)CC2)ccc1O
InChIInChI=1S/C24H30O2/c1-2-3-4-5-6-22-17-21(13-16-24(22)26)20-9-7-18(8-10-20)19-11-14-23(25)15-12-19/h9,11-18,25-26H,2-8,10H2,1H3
InChIKeyAYGIGLAMPPTGNK-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.57
Rot. Bonds7

About 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol

2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol (PubChem CID 68964944) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol.

Molecular Properties

Compound Name2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
PubChem CID68964944
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
SMILESCCCCCCc1cc(C2=CCC(c3ccc(O)cc3)CC2)ccc1O
InChIInChI=1S/C24H30O2/c1-2-3-4-5-6-22-17-21(13-16-24(22)26)20-9-7-18(8-10-20)19-11-14-23(25)15-12-19/h9,11-18,25-26H,2-8,10H2,1H3
InChIKeyAYGIGLAMPPTGNK-UHFFFAOYSA-N
XLogP6.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol 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-[4-(4-hydroxyphenyl)cyclohexen-1-yl]-2-methylphenol
CID 22508069
4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol
CID 68959503
2-[[2-hexyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexen-1-yl]phenoxy]methyl]oxirane
CID 87427696
3-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 174738982
2-tridecylbenzene-1,4-diol
CID 19033717
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806
2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 139930956
4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]-2-methyl-6-phenylphenol
CID 141265705
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
4-bromo-2-dodecylphenol
CID 25207881

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The IUPAC name of 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol (CID 68964944) is 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol.
What is the SMILES notation for 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The canonical SMILES for 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol is CCCCCCc1cc(C2=CCC(c3ccc(O)cc3)CC2)ccc1O.
What is the InChIKey of 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The InChIKey is AYGIGLAMPPTGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-2-3-4-5-6-22-17-21(13-16-24(22)26)20-9-7-18(8-10-20)19-11-14-23(25)15-12-19/h9,11-18,25-26H,2-8,10H2,1H3.
What are the key properties of 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol has a molecular weight of 350.50 g/mol, XLogP of 6.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol is sourced from PubChem (CID 68964944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).