(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

C17H16O3 — CID 92913082

IUPAC(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\c2cccc(OC)c2)cc1
InChIInChI=1S/C17H16O3/c1-19-15-9-7-14(8-10-15)17(18)11-6-13-4-3-5-16(12-13)20-2/h3-12H,1-2H3/b11-6-
InChIKeyAQAKRWFRWHZVCZ-WDZFZDKYSA-N
MW268.31 g/mol
LogP3.60
Rot. Bonds5

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

(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 92913082) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID92913082
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\c2cccc(OC)c2)cc1
InChIInChI=1S/C17H16O3/c1-19-15-9-7-14(8-10-15)17(18)11-6-13-4-3-5-16(12-13)20-2/h3-12H,1-2H3/b11-6-
InChIKeyAQAKRWFRWHZVCZ-WDZFZDKYSA-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

[4-[3-(3-methoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3494985
(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346015
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 91944332
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methoxybenzoate
CID 5088437
[3-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
CID 6267234
1-[4-(4-bromobutoxy)phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 168866675
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] cyclopropanecarboxylate
CID 3629356
(E)-3-[3-(2-methoxyethoxy)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 52683145
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
CID 3509938
[3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 3,4-dimethoxybenzoate
CID 5089620
(E)-1-(4-fluoro-3-methylphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 39369358

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 92913082) is (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C\c2cccc(OC)c2)cc1.
What is the InChIKey of (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is AQAKRWFRWHZVCZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-15-9-7-14(8-10-15)17(18)11-6-13-4-3-5-16(12-13)20-2/h3-12H,1-2H3/b11-6-.
What are the key properties of (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
(Z)-3-(3-methoxyphenyl)-1-(4-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 (Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 92913082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).