3-cyclohexyl-6-methylbenzene-1,2-diol

C13H18O2 — CID 150190518

IUPAC3-cyclohexyl-6-methylbenzene-1,2-diol
SMILESCc1ccc(C2CCCCC2)c(O)c1O
InChIInChI=1S/C13H18O2/c1-9-7-8-11(13(15)12(9)14)10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3
InChIKeyFNILVSQVEWSKDW-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.45
Rot. Bonds1

About 3-cyclohexyl-6-methylbenzene-1,2-diol

3-cyclohexyl-6-methylbenzene-1,2-diol (PubChem CID 150190518) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-cyclohexyl-6-methylbenzene-1,2-diol.

Molecular Properties

Compound Name3-cyclohexyl-6-methylbenzene-1,2-diol
PubChem CID150190518
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-cyclohexyl-6-methylbenzene-1,2-diol
SMILESCc1ccc(C2CCCCC2)c(O)c1O
InChIInChI=1S/C13H18O2/c1-9-7-8-11(13(15)12(9)14)10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3
InChIKeyFNILVSQVEWSKDW-UHFFFAOYSA-N
XLogP3.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,6-dicyclohexyl-3-methylphenol
CID 3022567
1,2,3-tricyclohexyl-4-methylbenzene
CID 173149758
2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
2,6-di(cyclobutyl)phenol
CID 57426118
2-cycloheptyl-5-methylphenol
CID 45096882
(2,3-dimethylphenyl)cyclodecane
CID 21161883
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
2-cyclohexyl-8-methylpyren-1-ol
CID 174259447
4-cyclohexyl-3-methylphenol;2-methylphenol
CID 157234017
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
CID 21020610
3-cyclohexyl-2,6-dihydroxybenzoic acid
CID 125490801
2-[(1R)-1-amino-2-hydroxyethyl]-6-cyclohexylphenol
CID 66514859

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-methylbenzene-1,2-diol?
The IUPAC name of 3-cyclohexyl-6-methylbenzene-1,2-diol (CID 150190518) is 3-cyclohexyl-6-methylbenzene-1,2-diol.
What is the SMILES notation for 3-cyclohexyl-6-methylbenzene-1,2-diol?
The canonical SMILES for 3-cyclohexyl-6-methylbenzene-1,2-diol is Cc1ccc(C2CCCCC2)c(O)c1O.
What is the InChIKey of 3-cyclohexyl-6-methylbenzene-1,2-diol?
The InChIKey is FNILVSQVEWSKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-7-8-11(13(15)12(9)14)10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-6-methylbenzene-1,2-diol?
3-cyclohexyl-6-methylbenzene-1,2-diol has a molecular weight of 206.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methylbenzene-1,2-diol is sourced from PubChem (CID 150190518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).