1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol

C15H22O2 — CID 113414594

IUPAC1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)(c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H22O2/c1-11-4-5-12(2)14(10-11)15(16)8-6-13(17-3)7-9-15/h4-5,10,13,16H,6-9H2,1-3H3
InChIKeyBXXJRIKXGYPIQH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.08
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol

1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol (PubChem CID 113414594) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol
PubChem CID113414594
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)(c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H22O2/c1-11-4-5-12(2)14(10-11)15(16)8-6-13(17-3)7-9-15/h4-5,10,13,16H,6-9H2,1-3H3
InChIKeyBXXJRIKXGYPIQH-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol (CID 113414594) is 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol is COC1CCC(O)(c2cc(C)ccc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol?
The InChIKey is BXXJRIKXGYPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-4-5-12(2)14(10-11)15(16)8-6-13(17-3)7-9-15/h4-5,10,13,16H,6-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol?
1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 113414594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).