(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one

C17H16O3 — CID 92997690

IUPAC(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\c2ccccc2)cc1OC
InChIInChI=1S/C17H16O3/c1-19-16-11-9-14(12-17(16)20-2)15(18)10-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b10-8-
InChIKeyDJUDWUHRZBILKP-NTMALXAHSA-N
MW268.31 g/mol
LogP3.60
Rot. Bonds5

About (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one

(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 92997690) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID92997690
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\c2ccccc2)cc1OC
InChIInChI=1S/C17H16O3/c1-19-16-11-9-14(12-17(16)20-2)15(18)10-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b10-8-
InChIKeyDJUDWUHRZBILKP-NTMALXAHSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 7947772
4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]benzonitrile
CID 7947742
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 8859274
(E)-1-(3,4-dimethoxyphenyl)-3-(2-phenylphenyl)prop-2-en-1-one
CID 175745581
3-[4-(difluoromethoxy)phenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3828585
3-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 4811069
(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylcarbazol-3-yl)prop-2-en-1-one
CID 71490478
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 7947778
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 52644018
2-[4-[3-(3-fluorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 4988069
1-(3,4-dimethoxyphenyl)-3-methoxyprop-2-en-1-one
CID 174439802

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one (CID 92997690) is (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one is COc1ccc(C(=O)/C=C\c2ccccc2)cc1OC.
What is the InChIKey of (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is DJUDWUHRZBILKP-NTMALXAHSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-16-11-9-14(12-17(16)20-2)15(18)10-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b10-8-.
What are the key properties of (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one?
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 92997690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).