1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol

C16H24O2 — CID 64735348

IUPAC1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCOc1ccc(C)cc1C1(O)CC(C)CC(C)C1
InChIInChI=1S/C16H24O2/c1-11-5-6-15(18-4)14(8-11)16(17)9-12(2)7-13(3)10-16/h5-6,8,12-13,17H,7,9-10H2,1-4H3
InChIKeyMWBOASKLTJPJLC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.65
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol

1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 64735348) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol
PubChem CID64735348
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCOc1ccc(C)cc1C1(O)CC(C)CC(C)C1
InChIInChI=1S/C16H24O2/c1-11-5-6-15(18-4)14(8-11)16(17)9-12(2)7-13(3)10-16/h5-6,8,12-13,17H,7,9-10H2,1-4H3
InChIKeyMWBOASKLTJPJLC-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol (CID 64735348) is 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol is COc1ccc(C)cc1C1(O)CC(C)CC(C)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is MWBOASKLTJPJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-5-6-15(18-4)14(8-11)16(17)9-12(2)7-13(3)10-16/h5-6,8,12-13,17H,7,9-10H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol?
1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64735348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).