1-methyl-4-phenylcyclohexan-1-ol

C13H18O — CID 11127082

IUPAC1-methyl-4-phenylcyclohexan-1-ol
SMILESCC1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C13H18O/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
InChIKeyTUIFOAUPMVTQPS-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds1

About 1-methyl-4-phenylcyclohexan-1-ol

1-methyl-4-phenylcyclohexan-1-ol (PubChem CID 11127082) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methyl-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-phenylcyclohexan-1-ol
PubChem CID11127082
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-methyl-4-phenylcyclohexan-1-ol
SMILESCC1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C13H18O/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
InChIKeyTUIFOAUPMVTQPS-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylcyclohexan-1-ol?
The IUPAC name of 1-methyl-4-phenylcyclohexan-1-ol (CID 11127082) is 1-methyl-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-phenylcyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-phenylcyclohexan-1-ol is CC1(O)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenylcyclohexan-1-ol?
The InChIKey is TUIFOAUPMVTQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3.
What are the key properties of 1-methyl-4-phenylcyclohexan-1-ol?
1-methyl-4-phenylcyclohexan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 11127082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).