2,7-dimethylchromen-4-one

C11H10O2 — CID 2343140

IUPAC2,7-dimethylchromen-4-one
SMILESCc1ccc2c(=O)cc(C)oc2c1
InChIInChI=1S/C11H10O2/c1-7-3-4-9-10(12)6-8(2)13-11(9)5-7/h3-6H,1-2H3
InChIKeyZPFCSSUWRXOPPB-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.41
Rot. Bonds

About 2,7-dimethylchromen-4-one

2,7-dimethylchromen-4-one (PubChem CID 2343140) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2,7-dimethylchromen-4-one
PubChem CID2343140
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2,7-dimethylchromen-4-one
SMILESCc1ccc2c(=O)cc(C)oc2c1
InChIInChI=1S/C11H10O2/c1-7-3-4-9-10(12)6-8(2)13-11(9)5-7/h3-6H,1-2H3
InChIKeyZPFCSSUWRXOPPB-UHFFFAOYSA-N
XLogP2.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-7-sulfanylchromen-4-one
CID 15171696
2-(difluoromethyl)-7-methylchromen-4-one
CID 691249
2-methyl-7-(trifluoromethyl)chromen-4-one
CID 125486339
2-methyl-4-oxochromene-7-carboxylic acid
CID 166609828
methanamine;2-methylchromen-4-one
CID 91311034
7-methyl-2-(2-methylphenyl)chromen-4-one
CID 4038144
7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
CID 110174145
2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one
CID 82046648
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
3-(7-methyl-4-oxochromen-2-yl)benzoic acid
CID 82043714
4-chloro-7-methyl-2-oxochromene-3-carbaldehyde
CID 15372644

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylchromen-4-one?
The IUPAC name of 2,7-dimethylchromen-4-one (CID 2343140) is 2,7-dimethylchromen-4-one.
What is the SMILES notation for 2,7-dimethylchromen-4-one?
The canonical SMILES for 2,7-dimethylchromen-4-one is Cc1ccc2c(=O)cc(C)oc2c1.
What is the InChIKey of 2,7-dimethylchromen-4-one?
The InChIKey is ZPFCSSUWRXOPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-3-4-9-10(12)6-8(2)13-11(9)5-7/h3-6H,1-2H3.
What are the key properties of 2,7-dimethylchromen-4-one?
2,7-dimethylchromen-4-one has a molecular weight of 174.20 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylchromen-4-one is sourced from PubChem (CID 2343140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).