7-hydroxy-3,8-dimethylchromen-2-one

C11H10O3 — CID 5483179

IUPAC7-hydroxy-3,8-dimethylchromen-2-one
SMILESCc1cc2ccc(O)c(C)c2oc1=O
InChIInChI=1S/C11H10O3/c1-6-5-8-3-4-9(12)7(2)10(8)14-11(6)13/h3-5,12H,1-2H3
InChIKeyXSMBCOMOENDKHA-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.12
Rot. Bonds

About 7-hydroxy-3,8-dimethylchromen-2-one

7-hydroxy-3,8-dimethylchromen-2-one (PubChem CID 5483179) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-hydroxy-3,8-dimethylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3,8-dimethylchromen-2-one
PubChem CID5483179
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name7-hydroxy-3,8-dimethylchromen-2-one
SMILESCc1cc2ccc(O)c(C)c2oc1=O
InChIInChI=1S/C11H10O3/c1-6-5-8-3-4-9(12)7(2)10(8)14-11(6)13/h3-5,12H,1-2H3
InChIKeyXSMBCOMOENDKHA-UHFFFAOYSA-N
XLogP2.12
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-[(dimethylamino)methyl]-7-hydroxy-3-methylchromen-2-one;hydrochloride
CID 21159651
3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
CID 155119057
7-hydroxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride
CID 21159655
7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
CID 21159653
3-methyl-2-oxochromene-8-carbaldehyde
CID 13429634
(7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate
CID 87265834
7,8-diiodo-3,6-dimethylchromen-2-one
CID 134461004
6-bromo-3-methylchromen-2-one
CID 14956088
8-amino-7-hydroxy-3,4-dimethylchromen-2-one
CID 124706841
4,7,8-trihydroxy-3-methylchromen-2-one
CID 57357781
3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
CID 57388516
3-hydroxy-4-methylbenzo[h]chromen-2-one
CID 154018255

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,8-dimethylchromen-2-one?
The IUPAC name of 7-hydroxy-3,8-dimethylchromen-2-one (CID 5483179) is 7-hydroxy-3,8-dimethylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3,8-dimethylchromen-2-one?
The canonical SMILES for 7-hydroxy-3,8-dimethylchromen-2-one is Cc1cc2ccc(O)c(C)c2oc1=O.
What is the InChIKey of 7-hydroxy-3,8-dimethylchromen-2-one?
The InChIKey is XSMBCOMOENDKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-5-8-3-4-9(12)7(2)10(8)14-11(6)13/h3-5,12H,1-2H3.
What are the key properties of 7-hydroxy-3,8-dimethylchromen-2-one?
7-hydroxy-3,8-dimethylchromen-2-one has a molecular weight of 190.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,8-dimethylchromen-2-one is sourced from PubChem (CID 5483179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).