1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol

C15H22O3 — CID 62802493

IUPAC1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCCC(C)C2)c1
InChIInChI=1S/C15H22O3/c1-11-5-4-8-15(16,10-11)13-9-12(17-2)6-7-14(13)18-3/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyATPBXSGHLGRTQX-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol

1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol (PubChem CID 62802493) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
PubChem CID62802493
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCCC(C)C2)c1
InChIInChI=1S/C15H22O3/c1-11-5-4-8-15(16,10-11)13-9-12(17-2)6-7-14(13)18-3/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyATPBXSGHLGRTQX-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol (CID 62802493) is 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol is COc1ccc(OC)c(C2(O)CCCC(C)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol?
The InChIKey is ATPBXSGHLGRTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-5-4-8-15(16,10-11)13-9-12(17-2)6-7-14(13)18-3/h6-7,9,11,16H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol?
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol is sourced from PubChem (CID 62802493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).