1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one

C17H14O3 — CID 132579909

IUPAC1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one
SMILESO=C(CO)Cc1cc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C17H14O3/c18-11-15(19)10-16-9-14-8-13(6-7-17(14)20-16)12-4-2-1-3-5-12/h1-9,18H,10-11H2
InChIKeyBYVHMLVJMINSMY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.20
Rot. Bonds4

About 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one

1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one (PubChem CID 132579909) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one
PubChem CID132579909
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one
SMILESO=C(CO)Cc1cc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C17H14O3/c18-11-15(19)10-16-9-14-8-13(6-7-17(14)20-16)12-4-2-1-3-5-12/h1-9,18H,10-11H2
InChIKeyBYVHMLVJMINSMY-UHFFFAOYSA-N
XLogP3.20
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-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

2-(5-phenyl-1-benzofuran-2-yl)acetic acid
CID 82177271
3-iodo-6-phenylchromen-2-one
CID 71734439
ethane;2-iodo-4-phenylphenol;(5-phenyl-1-benzofuran-2-yl)methanol;prop-2-yn-1-ol
CID 159906082
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
3-(4-bromophenyl)-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid
CID 22062872
3-phenyl-2-[(5-pyridin-4-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid
CID 22062809
2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]-3-pyridazin-3-ylpropanoic acid
CID 22062817
1-phenyl-3-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]pyrazole-4-carboxylic acid
CID 10161263
3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile
CID 22274607
1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736094
(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one?
The IUPAC name of 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one (CID 132579909) is 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one.
What is the SMILES notation for 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one?
The canonical SMILES for 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one is O=C(CO)Cc1cc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one?
The InChIKey is BYVHMLVJMINSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-11-15(19)10-16-9-14-8-13(6-7-17(14)20-16)12-4-2-1-3-5-12/h1-9,18H,10-11H2.
What are the key properties of 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one?
1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(5-phenyl-1-benzofuran-2-yl)propan-2-one is sourced from PubChem (CID 132579909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).