5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one

C12H12O3 — CID 13329501

IUPAC5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESCC(O)c1ccc2c(c1)C(=O)C1(CC1)O2
InChIInChI=1S/C12H12O3/c1-7(13)8-2-3-10-9(6-8)11(14)12(15-10)4-5-12/h2-3,6-7,13H,4-5H2,1H3
InChIKeyAUMFJEUCXAPRGZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.85
Rot. Bonds1

About 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one

5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one (PubChem CID 13329501) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
PubChem CID13329501
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESCC(O)c1ccc2c(c1)C(=O)C1(CC1)O2
InChIInChI=1S/C12H12O3/c1-7(13)8-2-3-10-9(6-8)11(14)12(15-10)4-5-12/h2-3,6-7,13H,4-5H2,1H3
InChIKeyAUMFJEUCXAPRGZ-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one with MolForge

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

Launch Full Analysis

Related Compounds

5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one
CID 12926044
N-(3-oxospiro[1-benzofuran-2,1'-cyclopropane]-5-yl)methanesulfonamide
CID 3055476
7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
CID 13329536
5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one
CID 13329529
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
CID 58082962
5-bromo-3-oxospiro[1-benzofuran-2,4'-piperidine]-1'-carboxylic acid
CID 123873344
(E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide
CID 52951172
1-(2-aminoquinoxalin-6-yl)ethanol
CID 117281448
4'-methoxy-5-(3-methylphenyl)spiro[1-benzofuran-2,1'-cyclohexane]-3-one
CID 118592314
5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione
CID 12925972
1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanol
CID 117113799

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The IUPAC name of 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one (CID 13329501) is 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The canonical SMILES for 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one is CC(O)c1ccc2c(c1)C(=O)C1(CC1)O2.
What is the InChIKey of 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The InChIKey is AUMFJEUCXAPRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7(13)8-2-3-10-9(6-8)11(14)12(15-10)4-5-12/h2-3,6-7,13H,4-5H2,1H3.
What are the key properties of 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one?
5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 13329501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).