1-(4-chlorophenyl)-1-cyclopropylethanol

C11H13ClO — CID 23463

IUPAC1-(4-chlorophenyl)-1-cyclopropylethanol
SMILESCC(O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H13ClO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3
InChIKeyOSFCGPVNQAPOHW-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-chlorophenyl)-1-cyclopropylethanol

1-(4-chlorophenyl)-1-cyclopropylethanol (PubChem CID 23463) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropylethanol
PubChem CID23463
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name1-(4-chlorophenyl)-1-cyclopropylethanol
SMILESCC(O)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H13ClO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3
InChIKeyOSFCGPVNQAPOHW-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropylethanol (CID 23463) is 1-(4-chlorophenyl)-1-cyclopropylethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropylethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropylethanol is CC(O)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropylethanol?
The InChIKey is OSFCGPVNQAPOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropylethanol?
1-(4-chlorophenyl)-1-cyclopropylethanol has a molecular weight of 196.68 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclopropylethanol is sourced from PubChem (CID 23463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).