2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol

C15H22O2 — CID 123388666

IUPAC2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(CC2CCC(O)CC2)c1
InChIInChI=1S/C15H22O2/c1-10-7-11(2)15(17)13(8-10)9-12-3-5-14(16)6-4-12/h7-8,12,14,16-17H,3-6,9H2,1-2H3
InChIKeyVQCRYCKUYRXFFN-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.10
Rot. Bonds2

About 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol

2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol (PubChem CID 123388666) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol
PubChem CID123388666
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(CC2CCC(O)CC2)c1
InChIInChI=1S/C15H22O2/c1-10-7-11(2)15(17)13(8-10)9-12-3-5-14(16)6-4-12/h7-8,12,14,16-17H,3-6,9H2,1-2H3
InChIKeyVQCRYCKUYRXFFN-UHFFFAOYSA-N
XLogP3.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)-4,6-dimethylphenol
CID 15094976
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
2-(cyclopropylmethyl)-4-methyl-6-propan-2-ylphenol;ethane
CID 145399569
2-(cyclohexylmethyl)-6-methylbenzene-1,4-diol
CID 45093616
4-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928492
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol
CID 82486099
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol (CID 123388666) is 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(CC2CCC(O)CC2)c1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol?
The InChIKey is VQCRYCKUYRXFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-7-11(2)15(17)13(8-10)9-12-3-5-14(16)6-4-12/h7-8,12,14,16-17H,3-6,9H2,1-2H3.
What are the key properties of 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol?
2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol has a molecular weight of 234.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methyl]-4,6-dimethylphenol is sourced from PubChem (CID 123388666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).