4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol

C15H22O3 — CID 125470767

IUPAC4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol
SMILESCOC1(OC)CCC(O)(c2cccc(C)c2)CC1
InChIInChI=1S/C15H22O3/c1-12-5-4-6-13(11-12)14(16)7-9-15(17-2,18-3)10-8-14/h4-6,11,16H,7-10H2,1-3H3
InChIKeySEHIPTQUHOWGMO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.75
Rot. Bonds3

About 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol

4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol (PubChem CID 125470767) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol
PubChem CID125470767
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol
SMILESCOC1(OC)CCC(O)(c2cccc(C)c2)CC1
InChIInChI=1S/C15H22O3/c1-12-5-4-6-13(11-12)14(16)7-9-15(17-2,18-3)10-8-14/h4-6,11,16H,7-10H2,1-3H3
InChIKeySEHIPTQUHOWGMO-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol?
The IUPAC name of 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol (CID 125470767) is 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol is COC1(OC)CCC(O)(c2cccc(C)c2)CC1.
What is the InChIKey of 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol?
The InChIKey is SEHIPTQUHOWGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-12-5-4-6-13(11-12)14(16)7-9-15(17-2,18-3)10-8-14/h4-6,11,16H,7-10H2,1-3H3.
What are the key properties of 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol?
4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 125470767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).