1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol

C14H20O2 — CID 131592478

IUPAC1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol
SMILESCOc1c(C)cc(C2(C(C)O)CC2)cc1C
InChIInChI=1S/C14H20O2/c1-9-7-12(8-10(2)13(9)16-4)14(5-6-14)11(3)15/h7-8,11,15H,5-6H2,1-4H3
InChIKeyWWOIRMGDRVFMAT-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.72
Rot. Bonds3

About 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol

1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol (PubChem CID 131592478) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol
PubChem CID131592478
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol
SMILESCOc1c(C)cc(C2(C(C)O)CC2)cc1C
InChIInChI=1S/C14H20O2/c1-9-7-12(8-10(2)13(9)16-4)14(5-6-14)11(3)15/h7-8,11,15H,5-6H2,1-4H3
InChIKeyWWOIRMGDRVFMAT-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol?
The IUPAC name of 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol (CID 131592478) is 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol?
The canonical SMILES for 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol is COc1c(C)cc(C2(C(C)O)CC2)cc1C.
What is the InChIKey of 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol?
The InChIKey is WWOIRMGDRVFMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-7-12(8-10(2)13(9)16-4)14(5-6-14)11(3)15/h7-8,11,15H,5-6H2,1-4H3.
What are the key properties of 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol?
1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol has a molecular weight of 220.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-3,5-dimethylphenyl)cyclopropyl]ethanol is sourced from PubChem (CID 131592478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).