[3-(2-chlorophenyl)phenyl] prop-2-enoate

C15H11ClO2 — CID 174588124

IUPAC[3-(2-chlorophenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C15H11ClO2/c1-2-15(17)18-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16/h2-10H,1H2
InChIKeyUQDZZWAVPJOCDU-UHFFFAOYSA-N
MW258.70 g/mol
LogP4.10
Rot. Bonds3

About [3-(2-chlorophenyl)phenyl] prop-2-enoate

[3-(2-chlorophenyl)phenyl] prop-2-enoate (PubChem CID 174588124) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is [3-(2-chlorophenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(2-chlorophenyl)phenyl] prop-2-enoate
PubChem CID174588124
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name[3-(2-chlorophenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C15H11ClO2/c1-2-15(17)18-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16/h2-10H,1H2
InChIKeyUQDZZWAVPJOCDU-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)phenyl] prop-2-enoate?
The IUPAC name of [3-(2-chlorophenyl)phenyl] prop-2-enoate (CID 174588124) is [3-(2-chlorophenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [3-(2-chlorophenyl)phenyl] prop-2-enoate?
The canonical SMILES for [3-(2-chlorophenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1cccc(-c2ccccc2Cl)c1.
What is the InChIKey of [3-(2-chlorophenyl)phenyl] prop-2-enoate?
The InChIKey is UQDZZWAVPJOCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c1-2-15(17)18-12-7-5-6-11(10-12)13-8-3-4-9-14(13)16/h2-10H,1H2.
What are the key properties of [3-(2-chlorophenyl)phenyl] prop-2-enoate?
[3-(2-chlorophenyl)phenyl] prop-2-enoate has a molecular weight of 258.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 174588124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).