(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one

C9H8O3 — CID 92981910

IUPAC(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one
SMILESCc1ccc2c(c1)[C@H](O)OC2=O
InChIInChI=1S/C9H8O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4,9,11H,1H3/t9-/m1/s1
InChIKeyAFZXLLRTYQQFRL-SECBINFHSA-N
MW164.16 g/mol
LogP1.16
Rot. Bonds

About (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one

(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one (PubChem CID 92981910) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one
PubChem CID92981910
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one
SMILESCc1ccc2c(c1)[C@H](O)OC2=O
InChIInChI=1S/C9H8O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4,9,11H,1H3/t9-/m1/s1
InChIKeyAFZXLLRTYQQFRL-SECBINFHSA-N
XLogP1.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one (CID 92981910) is (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one is Cc1ccc2c(c1)[C@H](O)OC2=O.
What is the InChIKey of (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one?
The InChIKey is AFZXLLRTYQQFRL-SECBINFHSA-N. The full InChI is InChI=1S/C9H8O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4,9,11H,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one?
(3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one has a molecular weight of 164.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 92981910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).