4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one

C18H12O3 — CID 132530161

IUPAC4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one
SMILESO=C1OC(c2ccccc2)c2cc3ccccc3c(O)c21
InChIInChI=1S/C18H12O3/c19-16-13-9-5-4-8-12(13)10-14-15(16)18(20)21-17(14)11-6-2-1-3-7-11/h1-10,17,19H
InChIKeyWXECJGOKDVBESH-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.81
Rot. Bonds1

About 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one

4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one (PubChem CID 132530161) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one
PubChem CID132530161
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one
SMILESO=C1OC(c2ccccc2)c2cc3ccccc3c(O)c21
InChIInChI=1S/C18H12O3/c19-16-13-9-5-4-8-12(13)10-14-15(16)18(20)21-17(14)11-6-2-1-3-7-11/h1-10,17,19H
InChIKeyWXECJGOKDVBESH-UHFFFAOYSA-N
XLogP3.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
CID 71437125
5-hydroxybenzo[b]fluoren-11-one
CID 177478830
3-methyl-2-phenylnaphthalen-1-ol
CID 68536757
3-bromo-2-phenylnaphthalen-1-ol
CID 121316488
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
2-(1-hydroxy-3-triphenylsilylnaphthalen-2-yl)-3-triphenylsilylnaphthalen-1-ol
CID 21278529
methyl 10-hydroxy-1-[(10-hydroxy-2-methoxycarbonyl-4-oxo-2,3-dihydro-1H-anthracen-1-yl)disulfanyl]-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylate
CID 10077346
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol
CID 14289254
cis-(3S,5R)-3-(1-hydroxynaphthalen-2-yl)-5-phenylcyclohexan-1-one
CID 134946655

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one (CID 132530161) is 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one is O=C1OC(c2ccccc2)c2cc3ccccc3c(O)c21.
What is the InChIKey of 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is WXECJGOKDVBESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c19-16-13-9-5-4-8-12(13)10-14-15(16)18(20)21-17(14)11-6-2-1-3-7-11/h1-10,17,19H.
What are the key properties of 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one?
4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 276.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 132530161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).