3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one

C16H12Cl2O2 — CID 78541367

IUPAC3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H12Cl2O2/c1-20-14-4-2-3-12(9-14)16(19)8-6-11-5-7-13(17)10-15(11)18/h2-10H,1H3
InChIKeyARWFOJXRJONVTN-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.90
Rot. Bonds4

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

3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one (PubChem CID 78541367) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
PubChem CID78541367
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H12Cl2O2/c1-20-14-4-2-3-12(9-14)16(19)8-6-11-5-7-13(17)10-15(11)18/h2-10H,1H3
InChIKeyARWFOJXRJONVTN-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
3-(2,4-dichlorophenyl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]prop-2-en-1-one
CID 69216639
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172
(E)-3-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 8857147
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
1-(4-chlorophenyl)-3-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 54369733
1-(4-tert-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 4531799
(E)-1-(3-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 75359449
(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one
CID 70016951
2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-4-methoxybenzaldehyde
CID 50922958
(E)-3-(2,4-dichlorophenyl)-1-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one
CID 10474707

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one (CID 78541367) is 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one is COc1cccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is ARWFOJXRJONVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c1-20-14-4-2-3-12(9-14)16(19)8-6-11-5-7-13(17)10-15(11)18/h2-10H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one?
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one has a molecular weight of 307.18 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 78541367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).