(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one

C22H18O — CID 12643319

IUPAC(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O/c1-17-7-9-18(10-8-17)11-16-22(23)21-14-12-20(13-15-21)19-5-3-2-4-6-19/h2-16H,1H3/b16-11-
InChIKeyJTSGWWQKGVNALD-WJDWOHSUSA-N
MW298.39 g/mol
LogP5.56
Rot. Bonds4

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

(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 12643319) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID12643319
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O/c1-17-7-9-18(10-8-17)11-16-22(23)21-14-12-20(13-15-21)19-5-3-2-4-6-19/h2-16H,1H3/b16-11-
InChIKeyJTSGWWQKGVNALD-WJDWOHSUSA-N
XLogP5.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.56
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

3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
(E)-1,3-bis(4-methylphenyl)prop-2-en-1-one;diiodovanadium
CID 161393105
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(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
3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 3733090
1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 67828986
bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
CID 159108688
(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one (CID 12643319) is (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one is Cc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is JTSGWWQKGVNALD-WJDWOHSUSA-N. The full InChI is InChI=1S/C22H18O/c1-17-7-9-18(10-8-17)11-16-22(23)21-14-12-20(13-15-21)19-5-3-2-4-6-19/h2-16H,1H3/b16-11-.
What are the key properties of (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 298.39 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 12643319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).