7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one

C19H16Cl2O3 — CID 2299030

IUPAC7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
SMILESCCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)c(Cl)c3)ccc12
InChIInChI=1S/C19H16Cl2O3/c1-3-13-9-18(22)24-19-11(2)17(7-5-14(13)19)23-10-12-4-6-15(20)16(21)8-12/h4-9H,3,10H2,1-2H3
InChIKeyZVLIYKPWZRYZMW-UHFFFAOYSA-N
MW363.24 g/mol
LogP5.55
Rot. Bonds4

About 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one

7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one (PubChem CID 2299030) has the molecular formula C19H16Cl2O3 and a molecular weight of 363.24 g/mol. Its IUPAC name is 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one.

Molecular Properties

Compound Name7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
PubChem CID2299030
Molecular FormulaC19H16Cl2O3
Molecular Weight363.24 g/mol
Exact Mass362.05
IUPAC Name7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
SMILESCCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)c(Cl)c3)ccc12
InChIInChI=1S/C19H16Cl2O3/c1-3-13-9-18(22)24-19-11(2)17(7-5-14(13)19)23-10-12-4-6-15(20)16(21)8-12/h4-9H,3,10H2,1-2H3
InChIKeyZVLIYKPWZRYZMW-UHFFFAOYSA-N
XLogP5.55
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.24
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 883551
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
CID 969830
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
4-[(2,4-dichlorophenoxy)methyl]-7-hydroxy-8-methylchromen-2-one
CID 18291345
(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
CID 905836
4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one
CID 54711766
propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
CID 2271747
6-chloro-7-[(4-chlorophenyl)methoxy]-4-ethylchromen-2-one
CID 23824130
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
4-ethyl-8-methyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 799848

Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one?
The IUPAC name of 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one (CID 2299030) is 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one.
What is the SMILES notation for 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one?
The canonical SMILES for 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one is CCc1cc(=O)oc2c(C)c(OCc3ccc(Cl)c(Cl)c3)ccc12.
What is the InChIKey of 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one?
The InChIKey is ZVLIYKPWZRYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O3/c1-3-13-9-18(22)24-19-11(2)17(7-5-14(13)19)23-10-12-4-6-15(20)16(21)8-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one?
7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one has a molecular weight of 363.24 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one is sourced from PubChem (CID 2299030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).