(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one

C10H10O3 — CID 131155996

IUPAC(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
SMILESC[C@H](O)[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C10H10O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13-9/h2-6,9,11H,1H3/t6-,9-/m0/s1
InChIKeyDGVATGXQLLEFQV-RCOVLWMOSA-N
MW178.19 g/mol
LogP1.28
Rot. Bonds1

About (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one

(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one (PubChem CID 131155996) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
PubChem CID131155996
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
SMILESC[C@H](O)[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C10H10O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13-9/h2-6,9,11H,1H3/t6-,9-/m0/s1
InChIKeyDGVATGXQLLEFQV-RCOVLWMOSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
CID 131041803
(3S)-3-propan-2-yl-3H-2-benzofuran-1-one
CID 102418556
3-[(2S)-butan-2-yl]-3H-2-benzofuran-1-one
CID 90910202
(3S)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one
CID 6933795
3-(1-hydroxypentyl)-3H-2-benzofuran-1-one
CID 11063962
3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 3261908
3-[[4-(dimethylamino)phenyl]-hydroxymethyl]-3H-2-benzofuran-1-one
CID 91824416
4-(1-hydroxyethyl)-4H-isochromene-1,3-dione
CID 177255970
2-(3-oxo-1H-2-benzofuran-1-yl)-1-phenylbutane-1,3-dione
CID 10756184
3-[chloro(phenyl)methyl]-3H-2-benzofuran-1-one
CID 86305943
3-(1-nitropropyl)-3H-2-benzofuran-1-one
CID 12901823
(3S)-3-amino-3H-2-benzofuran-1-one
CID 163831945

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one?
The IUPAC name of (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one (CID 131155996) is (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one is C[C@H](O)[C@@H]1OC(=O)c2ccccc21.
What is the InChIKey of (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one?
The InChIKey is DGVATGXQLLEFQV-RCOVLWMOSA-N. The full InChI is InChI=1S/C10H10O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13-9/h2-6,9,11H,1H3/t6-,9-/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one?
(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one has a molecular weight of 178.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 131155996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).