(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one

C22H18O2 — CID 5372226

IUPAC(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C(=C\c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-24-20-14-12-19(13-15-20)22(23)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-
InChIKeyUIDIQFLDNBTXLZ-PGMHBOJBSA-N
MW314.38 g/mol
LogP5.12
Rot. Bonds5

About (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one

(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one (PubChem CID 5372226) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
PubChem CID5372226
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C(=C\c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-24-20-14-12-19(13-15-20)22(23)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-
InChIKeyUIDIQFLDNBTXLZ-PGMHBOJBSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-2-phenylprop-2-en-1-one
CID 46934100
(E)-3-(4-methoxyphenyl)-2-phenyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 46226736
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 5378867
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 2873903
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 6270719
3-(4-methoxyphenyl)-2-nitro-1-phenylprop-2-en-1-one
CID 85439668
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one (CID 5372226) is (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one is COc1ccc(C(=O)/C(=C\c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one?
The InChIKey is UIDIQFLDNBTXLZ-PGMHBOJBSA-N. The full InChI is InChI=1S/C22H18O2/c1-24-20-14-12-19(13-15-20)22(23)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-.
What are the key properties of (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one?
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one has a molecular weight of 314.38 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 5372226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).