1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol

C13H18O — CID 106798205

IUPAC1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol
SMILESCc1ccc(CC2(C(C)O)CC2)cc1
InChIInChI=1S/C13H18O/c1-10-3-5-12(6-4-10)9-13(7-8-13)11(2)14/h3-6,11,14H,7-9H2,1-2H3
InChIKeyVCRWYCSAXMZQIH-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.70
Rot. Bonds3

About 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol

1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol (PubChem CID 106798205) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol
PubChem CID106798205
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol
SMILESCc1ccc(CC2(C(C)O)CC2)cc1
InChIInChI=1S/C13H18O/c1-10-3-5-12(6-4-10)9-13(7-8-13)11(2)14/h3-6,11,14H,7-9H2,1-2H3
InChIKeyVCRWYCSAXMZQIH-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol (CID 106798205) is 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol is Cc1ccc(CC2(C(C)O)CC2)cc1.
What is the InChIKey of 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol?
The InChIKey is VCRWYCSAXMZQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10-3-5-12(6-4-10)9-13(7-8-13)11(2)14/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol?
1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol has a molecular weight of 190.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 106798205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).