3-(2-chlorophenyl)-3-phenylprop-2-enal

C15H11ClO — CID 71369713

IUPAC3-(2-chlorophenyl)-3-phenylprop-2-enal
SMILESO=CC=C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H11ClO/c16-15-9-5-4-8-14(15)13(10-11-17)12-6-2-1-3-7-12/h1-11H
InChIKeyLOVUTSOMIYTNFC-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.97
Rot. Bonds3

About 3-(2-chlorophenyl)-3-phenylprop-2-enal

3-(2-chlorophenyl)-3-phenylprop-2-enal (PubChem CID 71369713) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-phenylprop-2-enal.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-phenylprop-2-enal
PubChem CID71369713
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name3-(2-chlorophenyl)-3-phenylprop-2-enal
SMILESO=CC=C(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H11ClO/c16-15-9-5-4-8-14(15)13(10-11-17)12-6-2-1-3-7-12/h1-11H
InChIKeyLOVUTSOMIYTNFC-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-2-phenylethenamine
CID 174393832
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
(E)-3-(3-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-enal
CID 146451505
(E)-3-(2-chlorophenyl)-4,4,4-trifluorobut-2-enal
CID 115040538
(E)-3-(3-chloro-2-hydroxyphenyl)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enal
CID 146451631
[(E)-2-(2-chlorophenyl)-2-phenylethenyl] dimethyl phosphate
CID 174766716
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
1-phenyl-2-[(1Z)-1-phenylbuta-1,3-dienyl]benzene
CID 139038108
1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane
CID 159229035
(Z)-3-[4-(bromomethyl)-2-methoxyphenyl]-3-phenylprop-2-enal
CID 143730937
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-phenylprop-2-enal?
The IUPAC name of 3-(2-chlorophenyl)-3-phenylprop-2-enal (CID 71369713) is 3-(2-chlorophenyl)-3-phenylprop-2-enal.
What is the SMILES notation for 3-(2-chlorophenyl)-3-phenylprop-2-enal?
The canonical SMILES for 3-(2-chlorophenyl)-3-phenylprop-2-enal is O=CC=C(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-phenylprop-2-enal?
The InChIKey is LOVUTSOMIYTNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/c16-15-9-5-4-8-14(15)13(10-11-17)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 3-(2-chlorophenyl)-3-phenylprop-2-enal?
3-(2-chlorophenyl)-3-phenylprop-2-enal has a molecular weight of 242.71 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-phenylprop-2-enal is sourced from PubChem (CID 71369713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).