(6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one

C10H12O2 — CID 15559201

IUPAC(6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1coc2c1C(=O)C[C@H](C)C2
InChIInChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeySMUXTLISYBPIAU-LURJTMIESA-N
MW164.20 g/mol
LogP2.35
Rot. Bonds

About (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one

(6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 15559201) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name(6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID15559201
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1coc2c1C(=O)C[C@H](C)C2
InChIInChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeySMUXTLISYBPIAU-LURJTMIESA-N
XLogP2.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one (CID 15559201) is (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one is Cc1coc2c1C(=O)C[C@H](C)C2.
What is the InChIKey of (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is SMUXTLISYBPIAU-LURJTMIESA-N. The full InChI is InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one?
(6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 164.20 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 15559201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).