1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

C17H16O3 — CID 85442663

IUPAC1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C=CC(=O)c2ccccc2OC)c1
InChIInChI=1S/C17H16O3/c1-19-14-7-5-6-13(12-14)10-11-16(18)15-8-3-4-9-17(15)20-2/h3-12H,1-2H3
InChIKeyVDCDIHFJTOWNEY-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (PubChem CID 85442663) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
PubChem CID85442663
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C=CC(=O)c2ccccc2OC)c1
InChIInChI=1S/C17H16O3/c1-19-14-7-5-6-13(12-14)10-11-16(18)15-8-3-4-9-17(15)20-2/h3-12H,1-2H3
InChIKeyVDCDIHFJTOWNEY-UHFFFAOYSA-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-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 7514790
1-(2,4-dimethoxyphenyl)-3-[3-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 4203282
(E)-1-(2,4-dimethoxyphenyl)-3-[3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 6035620
1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 140808569
[2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 3-methoxybenzoate
CID 7710047
[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 2-methoxybenzoate
CID 3558717
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 53405565
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
[3-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 2-methoxybenzoate
CID 3509711
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
[4-[3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 3550111

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (CID 85442663) is 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one is COc1cccc(C=CC(=O)c2ccccc2OC)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is VDCDIHFJTOWNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-14-7-5-6-13(12-14)10-11-16(18)15-8-3-4-9-17(15)20-2/h3-12H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-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 1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 85442663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).