6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one

C18H15ClO3 — CID 7747630

IUPAC6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
SMILESCOc1c(-c2ccc(C)cc2)oc2cc(C)c(Cl)cc2c1=O
InChIInChI=1S/C18H15ClO3/c1-10-4-6-12(7-5-10)17-18(21-3)16(20)13-9-14(19)11(2)8-15(13)22-17/h4-9H,1-3H3
InChIKeyDMTAXKDFEHINCG-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.74
Rot. Bonds2

About 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one

6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one (PubChem CID 7747630) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
PubChem CID7747630
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
SMILESCOc1c(-c2ccc(C)cc2)oc2cc(C)c(Cl)cc2c1=O
InChIInChI=1S/C18H15ClO3/c1-10-4-6-12(7-5-10)17-18(21-3)16(20)13-9-14(19)11(2)8-15(13)22-17/h4-9H,1-3H3
InChIKeyDMTAXKDFEHINCG-UHFFFAOYSA-N
XLogP4.74
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 3,4-dimethoxybenzoate
CID 21001526
ethyl (2S)-2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
CID 7747648
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl] benzoate
CID 21001587
2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
CID 21001051
2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 21001210
6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one
CID 21001350
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
6-chloro-3-[(2,6-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-7-methylchromen-4-one
CID 21001413
[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl] 3,4-dimethoxybenzoate
CID 21001539
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-3-(2-phenylethoxy)chromen-4-one
CID 21001406

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one (CID 7747630) is 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one is COc1c(-c2ccc(C)cc2)oc2cc(C)c(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one?
The InChIKey is DMTAXKDFEHINCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-10-4-6-12(7-5-10)17-18(21-3)16(20)13-9-14(19)11(2)8-15(13)22-17/h4-9H,1-3H3.
What are the key properties of 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one?
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one has a molecular weight of 314.77 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 7747630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).