3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one

C21H15ClO — CID 5175101

IUPAC3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15ClO/c22-20-9-5-4-8-18(20)14-15-21(23)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-15H
InChIKeyMYXIXLDIEIKQAU-UHFFFAOYSA-N
MW318.80 g/mol
LogP5.90
Rot. Bonds4

About 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one

3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 5175101) has the molecular formula C21H15ClO and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID5175101
Molecular FormulaC21H15ClO
Molecular Weight318.80 g/mol
Exact Mass318.08
IUPAC Name3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15ClO/c22-20-9-5-4-8-18(20)14-15-21(23)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-15H
InChIKeyMYXIXLDIEIKQAU-UHFFFAOYSA-N
XLogP5.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.80
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842511
[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate
CID 3501825
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 7945580
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 155817922
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 6039064
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921217
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
4-[3-(2-chlorophenyl)prop-2-enoyl]-N,N-diethylbenzenesulfonamide
CID 4650336
4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-N,N-diethylbenzenesulfonamide
CID 6175557

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one (CID 5175101) is 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one is O=C(C=Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is MYXIXLDIEIKQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO/c22-20-9-5-4-8-18(20)14-15-21(23)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-15H.
What are the key properties of 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 318.80 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 5175101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).