3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol

C12H15ClO — CID 104819568

IUPAC3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol
SMILESOCC(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H15ClO/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11,14H,3-4,7-8H2
InChIKeyLFECRYSWBSYMJR-UHFFFAOYSA-N
MW210.70 g/mol
LogP2.90
Rot. Bonds4

About 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol

3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol (PubChem CID 104819568) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol
PubChem CID104819568
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol
SMILESOCC(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H15ClO/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11,14H,3-4,7-8H2
InChIKeyLFECRYSWBSYMJR-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol (CID 104819568) is 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol is OCC(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol?
The InChIKey is LFECRYSWBSYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11,14H,3-4,7-8H2.
What are the key properties of 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol?
3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol has a molecular weight of 210.70 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 104819568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).