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

C15H11ClO — CID 82117781

IUPAC(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
SMILESO=C/C(=C/c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-15-8-4-5-12(10-15)9-14(11-17)13-6-2-1-3-7-13/h1-11H/b14-9-
InChIKeyMVKIVXDZXCVHCF-ZROIWOOFSA-N
MW242.71 g/mol
LogP4.08
Rot. Bonds3

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

(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal (PubChem CID 82117781) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
PubChem CID82117781
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
SMILESO=C/C(=C/c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-15-8-4-5-12(10-15)9-14(11-17)13-6-2-1-3-7-13/h1-11H/b14-9-
InChIKeyMVKIVXDZXCVHCF-ZROIWOOFSA-N
XLogP4.08
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 ≤ 54.08
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-hydroxyphenyl)-2-phenylprop-2-enal
CID 82114899
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
(2Z,3Z)-2,3-bis[(3-chlorophenyl)methylidene]butanedial
CID 11370939
(2Z)-2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 5388570
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532
(Z)-3-(3-chlorophenyl)-2-fluoroprop-2-enoic acid
CID 122235656
3-chloro-2-phenylprop-2-enal
CID 85438099
1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine
CID 46231353
(E)-2,3-bis(3-chlorophenyl)prop-2-enenitrile
CID 696997
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
3-(3-chlorophenyl)-1-(4-methylphenyl)-2-sulfanylprop-2-en-1-one
CID 173459694
(1E)-1-(3-chlorophenyl)-4-[(dimethylamino)methyl]-2-phenylpenta-1,4-dien-3-one
CID 160883901

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal?
The IUPAC name of (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal (CID 82117781) is (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal?
The canonical SMILES for (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal is O=C/C(=C/c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal?
The InChIKey is MVKIVXDZXCVHCF-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H11ClO/c16-15-8-4-5-12(10-15)9-14(11-17)13-6-2-1-3-7-13/h1-11H/b14-9-.
What are the key properties of (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal?
(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal has a molecular weight of 242.71 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-2-phenylprop-2-enal is sourced from PubChem (CID 82117781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).