3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one

C24H19ClO2 — CID 54237286

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one
SMILESO=C(C=CC1(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H19ClO2/c25-20-11-9-19(10-12-20)24(15-16-24)14-13-23(26)18-5-4-8-22(17-18)27-21-6-2-1-3-7-21/h1-14,17H,15-16H2
InChIKeyQNLMYAMLCPLMDO-UHFFFAOYSA-N
MW374.87 g/mol
LogP6.60
Rot. Bonds6

About 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one

3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one (PubChem CID 54237286) has the molecular formula C24H19ClO2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one
PubChem CID54237286
Molecular FormulaC24H19ClO2
Molecular Weight374.87 g/mol
Exact Mass374.11
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one
SMILESO=C(C=CC1(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H19ClO2/c25-20-11-9-19(10-12-20)24(15-16-24)14-13-23(26)18-5-4-8-22(17-18)27-21-6-2-1-3-7-21/h1-14,17H,15-16H2
InChIKeyQNLMYAMLCPLMDO-UHFFFAOYSA-N
XLogP6.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one (CID 54237286) is 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one is O=C(C=CC1(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one?
The InChIKey is QNLMYAMLCPLMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClO2/c25-20-11-9-19(10-12-20)24(15-16-24)14-13-23(26)18-5-4-8-22(17-18)27-21-6-2-1-3-7-21/h1-14,17H,15-16H2.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one?
3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one has a molecular weight of 374.87 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 54237286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).