3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol

C24H38O — CID 142282401

IUPAC3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
SMILESCCCCCC1CCC(C2CCC(c3ccc(O)cc3C)CC2)CC1
InChIInChI=1S/C24H38O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)24-16-15-23(25)17-18(24)2/h15-17,19-22,25H,3-14H2,1-2H3
InChIKeyMWAVICYZGZKJGS-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.36
Rot. Bonds6

About 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol

3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol (PubChem CID 142282401) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol.

Molecular Properties

Compound Name3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
PubChem CID142282401
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol
SMILESCCCCCC1CCC(C2CCC(c3ccc(O)cc3C)CC2)CC1
InChIInChI=1S/C24H38O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)24-16-15-23(25)17-18(24)2/h15-17,19-22,25H,3-14H2,1-2H3
InChIKeyMWAVICYZGZKJGS-UHFFFAOYSA-N
XLogP7.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
2-methyl-4-nonyl-1-(4-nonylcyclohexyl)benzene
CID 19008146
2-methyl-4-octoxy-1-(4-pentylcyclohexyl)benzene
CID 19008042
2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 19008131
6-(4-pentylcyclohexyl)naphthalen-2-ol
CID 139850093
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
N-methoxysulfanyl-N-methyl-3-[4-[4-[2-methyl-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 135218736
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene
CID 174774005
2-fluoro-1-[4-(4-nonylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779219
1-[3-fluoro-2-methyl-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]phenyl]propan-1-one
CID 118283767
1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
CID 139911130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol?
The IUPAC name of 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol (CID 142282401) is 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol.
What is the SMILES notation for 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol?
The canonical SMILES for 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol is CCCCCC1CCC(C2CCC(c3ccc(O)cc3C)CC2)CC1.
What is the InChIKey of 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol?
The InChIKey is MWAVICYZGZKJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)24-16-15-23(25)17-18(24)2/h15-17,19-22,25H,3-14H2,1-2H3.
What are the key properties of 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol?
3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol has a molecular weight of 342.57 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol is sourced from PubChem (CID 142282401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).