6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one

C11H12O3 — CID 11745468

IUPAC6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one
SMILESCc1cc2c(cc1O)C(C)CC(=O)O2
InChIInChI=1S/C11H12O3/c1-6-4-11(13)14-10-3-7(2)9(12)5-8(6)10/h3,5-6,12H,4H2,1-2H3
InChIKeyGFKKBNXSTILZPT-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.11
Rot. Bonds

About 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one

6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one (PubChem CID 11745468) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one
PubChem CID11745468
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one
SMILESCc1cc2c(cc1O)C(C)CC(=O)O2
InChIInChI=1S/C11H12O3/c1-6-4-11(13)14-10-3-7(2)9(12)5-8(6)10/h3,5-6,12H,4H2,1-2H3
InChIKeyGFKKBNXSTILZPT-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one?
The IUPAC name of 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one (CID 11745468) is 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one is Cc1cc2c(cc1O)C(C)CC(=O)O2.
What is the InChIKey of 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one?
The InChIKey is GFKKBNXSTILZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-4-11(13)14-10-3-7(2)9(12)5-8(6)10/h3,5-6,12H,4H2,1-2H3.
What are the key properties of 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one?
6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one has a molecular weight of 192.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,7-dimethyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 11745468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).