2-(3,5-dimethylphenyl)-6-methoxychromen-4-one

C18H16O3 — CID 166633270

IUPAC2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
SMILESCOc1ccc2oc(-c3cc(C)cc(C)c3)cc(=O)c2c1
InChIInChI=1S/C18H16O3/c1-11-6-12(2)8-13(7-11)18-10-16(19)15-9-14(20-3)4-5-17(15)21-18/h4-10H,1-3H3
InChIKeyZBXAYVGIVJIIPG-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.09
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one

2-(3,5-dimethylphenyl)-6-methoxychromen-4-one (PubChem CID 166633270) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
PubChem CID166633270
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
SMILESCOc1ccc2oc(-c3cc(C)cc(C)c3)cc(=O)c2c1
InChIInChI=1S/C18H16O3/c1-11-6-12(2)8-13(7-11)18-10-16(19)15-9-14(20-3)4-5-17(15)21-18/h4-10H,1-3H3
InChIKeyZBXAYVGIVJIIPG-UHFFFAOYSA-N
XLogP4.09
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoic acid
CID 11823041
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate
CID 11056415
6-methoxy-2-naphthalen-1-ylchromen-4-one
CID 101199267
6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
CID 108773151
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
6-methoxy-2-(4-methylphenyl)chromene-4-thione
CID 100960680

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one (CID 166633270) is 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one is COc1ccc2oc(-c3cc(C)cc(C)c3)cc(=O)c2c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one?
The InChIKey is ZBXAYVGIVJIIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11-6-12(2)8-13(7-11)18-10-16(19)15-9-14(20-3)4-5-17(15)21-18/h4-10H,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one?
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one has a molecular weight of 280.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6-methoxychromen-4-one is sourced from PubChem (CID 166633270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).