(3S)-3-ethyl-3H-2-benzofuran-1-one

C10H10O2 — CID 14091863

IUPAC(3S)-3-ethyl-3H-2-benzofuran-1-one
SMILESCC[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3/t9-/m0/s1
InChIKeyVMTZKGPXYYJUAR-VIFPVBQESA-N
MW162.19 g/mol
LogP2.31
Rot. Bonds1

About (3S)-3-ethyl-3H-2-benzofuran-1-one

(3S)-3-ethyl-3H-2-benzofuran-1-one (PubChem CID 14091863) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3S)-3-ethyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-ethyl-3H-2-benzofuran-1-one
PubChem CID14091863
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(3S)-3-ethyl-3H-2-benzofuran-1-one
SMILESCC[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3/t9-/m0/s1
InChIKeyVMTZKGPXYYJUAR-VIFPVBQESA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-ethyl-3H-2-benzofuran-1-one (CID 14091863) is (3S)-3-ethyl-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-ethyl-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-ethyl-3H-2-benzofuran-1-one is CC[C@@H]1OC(=O)c2ccccc21.
What is the InChIKey of (3S)-3-ethyl-3H-2-benzofuran-1-one?
The InChIKey is VMTZKGPXYYJUAR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h3-6,9H,2H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-ethyl-3H-2-benzofuran-1-one?
(3S)-3-ethyl-3H-2-benzofuran-1-one has a molecular weight of 162.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 14091863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).