6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one

C18H15ClO3 — CID 7746663

IUPAC6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
SMILESCCOc1c(-c2ccc(C)cc2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C18H15ClO3/c1-3-21-18-16(20)14-10-13(19)8-9-15(14)22-17(18)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3
InChIKeyJMXMKMQSDNJEMW-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.82
Rot. Bonds3

About 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one

6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one (PubChem CID 7746663) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
PubChem CID7746663
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
SMILESCCOc1c(-c2ccc(C)cc2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C18H15ClO3/c1-3-21-18-16(20)14-10-13(19)8-9-15(14)22-17(18)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3
InChIKeyJMXMKMQSDNJEMW-UHFFFAOYSA-N
XLogP4.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
6-chloro-2-(4-methylphenyl)-3-[2-(4-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 21000303
6-bromo-2-(4-chlorophenyl)-3-propoxychromen-4-one
CID 56994559
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one (CID 7746663) is 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one is CCOc1c(-c2ccc(C)cc2)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one?
The InChIKey is JMXMKMQSDNJEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-3-21-18-16(20)14-10-13(19)8-9-15(14)22-17(18)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3.
What are the key properties of 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one?
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one has a molecular weight of 314.77 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 7746663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).