2,4-dimethylchromen-7-one

C11H10O2 — CID 765984

IUPAC2,4-dimethylchromen-7-one
SMILESCc1cc(C)c2ccc(=O)cc-2o1
InChIInChI=1S/C11H10O2/c1-7-5-8(2)13-11-6-9(12)3-4-10(7)11/h3-6H,1-2H3
InChIKeyGCRCLVFZNTXKDW-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.36
Rot. Bonds

About 2,4-dimethylchromen-7-one

2,4-dimethylchromen-7-one (PubChem CID 765984) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,4-dimethylchromen-7-one.

Molecular Properties

Compound Name2,4-dimethylchromen-7-one
PubChem CID765984
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name2,4-dimethylchromen-7-one
SMILESCc1cc(C)c2ccc(=O)cc-2o1
InChIInChI=1S/C11H10O2/c1-7-5-8(2)13-11-6-9(12)3-4-10(7)11/h3-6H,1-2H3
InChIKeyGCRCLVFZNTXKDW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylchromen-7-one?
The IUPAC name of 2,4-dimethylchromen-7-one (CID 765984) is 2,4-dimethylchromen-7-one.
What is the SMILES notation for 2,4-dimethylchromen-7-one?
The canonical SMILES for 2,4-dimethylchromen-7-one is Cc1cc(C)c2ccc(=O)cc-2o1.
What is the InChIKey of 2,4-dimethylchromen-7-one?
The InChIKey is GCRCLVFZNTXKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-5-8(2)13-11-6-9(12)3-4-10(7)11/h3-6H,1-2H3.
What are the key properties of 2,4-dimethylchromen-7-one?
2,4-dimethylchromen-7-one has a molecular weight of 174.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylchromen-7-one is sourced from PubChem (CID 765984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).