3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one

C17H16O3 — CID 54421018

IUPAC3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1cc(C=CC(=O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H16O3/c1-19-15-10-13(11-16(12-15)20-2)8-9-17(18)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyWAUNLZDTSDIAKQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.60
Rot. Bonds5

About 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one

3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 54421018) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID54421018
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1cc(C=CC(=O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H16O3/c1-19-15-10-13(11-16(12-15)20-2)8-9-17(18)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyWAUNLZDTSDIAKQ-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)-3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 8856238
1-[3-(difluoromethoxy)phenyl]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 4795642
(E)-1-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 7947772
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methoxybenzoate
CID 5088437
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 91944332
(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid;methane
CID 134814304
(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid;ethane
CID 142856131
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one (CID 54421018) is 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one is COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is WAUNLZDTSDIAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-15-10-13(11-16(12-15)20-2)8-9-17(18)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one?
3-(3,5-dimethoxyphenyl)-1-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 3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 54421018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).