7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one

C10H12O2 — CID 163998934

IUPAC7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one
SMILESCC1=CC=C2CCC(=O)C2C1O
InChIInChI=1S/C10H12O2/c1-6-2-3-7-4-5-8(11)9(7)10(6)12/h2-3,9-10,12H,4-5H2,1H3
InChIKeyUHFFZPAHDVJWBJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.21
Rot. Bonds

About 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one

7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one (PubChem CID 163998934) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one.

Molecular Properties

Compound Name7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one
PubChem CID163998934
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one
SMILESCC1=CC=C2CCC(=O)C2C1O
InChIInChI=1S/C10H12O2/c1-6-2-3-7-4-5-8(11)9(7)10(6)12/h2-3,9-10,12H,4-5H2,1H3
InChIKeyUHFFZPAHDVJWBJ-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one?
The IUPAC name of 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one (CID 163998934) is 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one.
What is the SMILES notation for 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one?
The canonical SMILES for 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one is CC1=CC=C2CCC(=O)C2C1O.
What is the InChIKey of 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one?
The InChIKey is UHFFZPAHDVJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-2-3-7-4-5-8(11)9(7)10(6)12/h2-3,9-10,12H,4-5H2,1H3.
What are the key properties of 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one?
7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-2,3,7,7a-tetrahydroinden-1-one is sourced from PubChem (CID 163998934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).