2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one

C10H14O3 — CID 130150914

IUPAC2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
SMILESCC1CC(O)OC2=C1C(=O)CCC2
InChIInChI=1S/C10H14O3/c1-6-5-9(12)13-8-4-2-3-7(11)10(6)8/h6,9,12H,2-5H2,1H3
InChIKeyOFNZWEPOAMVIEX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.37
Rot. Bonds

About 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one

2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one (PubChem CID 130150914) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
PubChem CID130150914
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
SMILESCC1CC(O)OC2=C1C(=O)CCC2
InChIInChI=1S/C10H14O3/c1-6-5-9(12)13-8-4-2-3-7(11)10(6)8/h6,9,12H,2-5H2,1H3
InChIKeyOFNZWEPOAMVIEX-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The IUPAC name of 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one (CID 130150914) is 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one is CC1CC(O)OC2=C1C(=O)CCC2.
What is the InChIKey of 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one?
The InChIKey is OFNZWEPOAMVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-5-9(12)13-8-4-2-3-7(11)10(6)8/h6,9,12H,2-5H2,1H3.
What are the key properties of 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one?
2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one is sourced from PubChem (CID 130150914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).