4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one

C10H10O3 — CID 134291801

IUPAC4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one
SMILESCC1=CC2C(O)=CC(=O)OC2C=C1
InChIInChI=1S/C10H10O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,7,9,11H,1H3
InChIKeyHTCYBMXAKSKWNN-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.49
Rot. Bonds

About 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one

4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one (PubChem CID 134291801) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one
PubChem CID134291801
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one
SMILESCC1=CC2C(O)=CC(=O)OC2C=C1
InChIInChI=1S/C10H10O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,7,9,11H,1H3
InChIKeyHTCYBMXAKSKWNN-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-methyl-5a,9a-dihydro-1,5-benzodioxepin-3-one
CID 53433846
(4aS,8aS)-7-[3-[[(4aR,8aS)-4-methyl-2-oxo-4a,8a-dihydrochromen-7-yl]oxy]propoxy]-4-methyl-4a,8a-dihydrochromen-2-one
CID 7309316
2,5-dimethyl-3a,7a-dihydro-1,3-benzoxazole
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(2S)-2-(chloromethyl)-3-hydroxy-2H-furan-5-one
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(1R,2S)-4-methylcyclohexa-3,5-diene-1,2-diol
CID 25203479
4-hydroxy-6,7-dimethyl-4a,5,6,7,8,8a-hexahydrochromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one?
The IUPAC name of 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one (CID 134291801) is 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one is CC1=CC2C(O)=CC(=O)OC2C=C1.
What is the InChIKey of 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one?
The InChIKey is HTCYBMXAKSKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,7,9,11H,1H3.
What are the key properties of 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one?
4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-4a,8a-dihydrochromen-2-one is sourced from PubChem (CID 134291801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).