2,4,6-tricyclopentyl-3-methylphenol

C22H32O — CID 3017206

IUPAC2,4,6-tricyclopentyl-3-methylphenol
SMILESCc1c(C2CCCC2)cc(C2CCCC2)c(O)c1C1CCCC1
InChIInChI=1S/C22H32O/c1-15-19(16-8-2-3-9-16)14-20(17-10-4-5-11-17)22(23)21(15)18-12-6-7-13-18/h14,16-18,23H,2-13H2,1H3
InChIKeyLUNVGTDAAFIKFA-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.67
Rot. Bonds3

About 2,4,6-tricyclopentyl-3-methylphenol

2,4,6-tricyclopentyl-3-methylphenol (PubChem CID 3017206) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is 2,4,6-tricyclopentyl-3-methylphenol.

Molecular Properties

Compound Name2,4,6-tricyclopentyl-3-methylphenol
PubChem CID3017206
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name2,4,6-tricyclopentyl-3-methylphenol
SMILESCc1c(C2CCCC2)cc(C2CCCC2)c(O)c1C1CCCC1
InChIInChI=1S/C22H32O/c1-15-19(16-8-2-3-9-16)14-20(17-10-4-5-11-17)22(23)21(15)18-12-6-7-13-18/h14,16-18,23H,2-13H2,1H3
InChIKeyLUNVGTDAAFIKFA-UHFFFAOYSA-N
XLogP6.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4,6-tricyclopentyl-3-methylphenol 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

4,6-dicyclopentyl-2-[(3,5-dicyclopentyl-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 6453118
2,6-dicyclohexyl-3-methylphenol
CID 3022567
3,6-dicyclopentyl-2-[(2,5-dicyclopentyl-6-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 6453119
1,3-dicyclohexyl-2,5-dimethylbenzene
CID 91568948
2-cyclopentyl-6-[2-(3-cyclopentyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 71380266
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
CID 21020610
4-amino-2,6-dicyclohexylphenol
CID 18959879
3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol
CID 141143598
3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol
CID 154316033
1,2,3-tricyclohexyl-4-methylbenzene
CID 173149758

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tricyclopentyl-3-methylphenol?
The IUPAC name of 2,4,6-tricyclopentyl-3-methylphenol (CID 3017206) is 2,4,6-tricyclopentyl-3-methylphenol.
What is the SMILES notation for 2,4,6-tricyclopentyl-3-methylphenol?
The canonical SMILES for 2,4,6-tricyclopentyl-3-methylphenol is Cc1c(C2CCCC2)cc(C2CCCC2)c(O)c1C1CCCC1.
What is the InChIKey of 2,4,6-tricyclopentyl-3-methylphenol?
The InChIKey is LUNVGTDAAFIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O/c1-15-19(16-8-2-3-9-16)14-20(17-10-4-5-11-17)22(23)21(15)18-12-6-7-13-18/h14,16-18,23H,2-13H2,1H3.
What are the key properties of 2,4,6-tricyclopentyl-3-methylphenol?
2,4,6-tricyclopentyl-3-methylphenol has a molecular weight of 312.50 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tricyclopentyl-3-methylphenol is sourced from PubChem (CID 3017206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).