3-hydroxy-6-methyl-2,3-dihydrochromen-4-one

C10H10O3 — CID 67687788

IUPAC3-hydroxy-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(O)CO2
InChIInChI=1S/C10H10O3/c1-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-4,8,11H,5H2,1H3
InChIKeyJYOPNZZCSDHHIF-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.93
Rot. Bonds

About 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one

3-hydroxy-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 67687788) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2,3-dihydrochromen-4-one
PubChem CID67687788
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-hydroxy-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(O)CO2
InChIInChI=1S/C10H10O3/c1-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-4,8,11H,5H2,1H3
InChIKeyJYOPNZZCSDHHIF-UHFFFAOYSA-N
XLogP0.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one (CID 67687788) is 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)C(O)CO2.
What is the InChIKey of 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is JYOPNZZCSDHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-4,8,11H,5H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one?
3-hydroxy-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 67687788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).