2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one

C11H16O3 — CID 15783055

IUPAC2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one
SMILESCC1(C)CC(=O)C2=C(C1)OC(O)CC2
InChIInChI=1S/C11H16O3/c1-11(2)5-8(12)7-3-4-10(13)14-9(7)6-11/h10,13H,3-6H2,1-2H3
InChIKeyBHGYVCQKVLXFFO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.76
Rot. Bonds

About 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one

2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one (PubChem CID 15783055) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one.

Molecular Properties

Compound Name2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one
PubChem CID15783055
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one
SMILESCC1(C)CC(=O)C2=C(C1)OC(O)CC2
InChIInChI=1S/C11H16O3/c1-11(2)5-8(12)7-3-4-10(13)14-9(7)6-11/h10,13H,3-6H2,1-2H3
InChIKeyBHGYVCQKVLXFFO-UHFFFAOYSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 130150914
(4R)-4-ethyl-2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one
CID 102396312
(4R)-2-hydroxy-7,7-dimethyl-4-propyl-3,4,6,8-tetrahydro-2H-chromen-5-one
CID 102396313
4,7,7-Trimethyl-2,3,4,6,7,8-hexahydro-5h-chromen-5-one
CID 129712624
2-Ethoxy-7,7-dimethyl-2,3,4,6,7,8-hexahydro-5H-1-benzopyran-5-one
CID 13218025
4,4,7,7-Tetramethyl-2,3,6,8-tetrahydrochromen-5-one
CID 13683598
2-Ethoxy-4-ethyl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 90110539
2-Ethoxy-4-methyl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 90110972
2-Ethoxy-4-(2-methylpropyl)-2,3,4,6,7,8-hexahydrochromen-5-one
CID 90111636
2-Ethoxy-4,4,7,7-tetramethyl-2,3,6,8-tetrahydrochromen-5-one
CID 90111731
2-Butoxy-4-propan-2-yl-2,3,4,6,7,8-hexahydrochromen-5-one
CID 90112481
2-ethoxy-7,7-dimethyl-4-propan-2-yl-3,4,6,8-tetrahydro-2H-chromen-5-one
CID 90112592

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one?
The IUPAC name of 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one (CID 15783055) is 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one.
What is the SMILES notation for 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one?
The canonical SMILES for 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one is CC1(C)CC(=O)C2=C(C1)OC(O)CC2.
What is the InChIKey of 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one?
The InChIKey is BHGYVCQKVLXFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2)5-8(12)7-3-4-10(13)14-9(7)6-11/h10,13H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one?
2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one has a molecular weight of 196.25 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7,7-dimethyl-3,4,6,8-tetrahydro-2H-chromen-5-one is sourced from PubChem (CID 15783055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).