(5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one

C22H16O4 — CID 139914960

IUPAC(5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one
SMILESO=C1O[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)C(O)=C1O
InChIInChI=1S/C22H16O4/c23-19-20(24)22(26-21(19)25,17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,23-24H/t22-/m0/s1
InChIKeyQBMNZEUSOGEWNK-QFIPXVFZSA-N
MW344.37 g/mol
LogP4.48
Rot. Bonds3

About (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one

(5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one (PubChem CID 139914960) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one.

Molecular Properties

Compound Name(5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one
PubChem CID139914960
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name(5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one
SMILESO=C1O[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)C(O)=C1O
InChIInChI=1S/C22H16O4/c23-19-20(24)22(26-21(19)25,17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,23-24H/t22-/m0/s1
InChIKeyQBMNZEUSOGEWNK-QFIPXVFZSA-N
XLogP4.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-3,4-dihydroxy-5-[4-(3-methylnaphthalen-1-yl)phenyl]furan-2-one
CID 54708211
(5S)-5-[4-(4-bromophenyl)phenyl]-3,4-dihydroxy-5-methylfuran-2-one
CID 70240775
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
CID 54054786
3,4-dihydroxy-5-(2-methylpropyl)-5-phenylfuran-2-one
CID 70133587
3,4-diiodo-5,5-diphenylfuran-2-one
CID 139257538
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
3,3a-diphenylcyclopenta[b]chromen-1-one
CID 134124372
4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
CID 70113074
benzenesulfonic acid;3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
CID 19733526
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
3,3-diphenylfuro[3,4-c]pyridin-1-one
CID 12671386
5-[4-(2-chloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-5-methylfuran-2-one
CID 54708208

Frequently Asked Questions

What is the IUPAC name of (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one?
The IUPAC name of (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one (CID 139914960) is (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one.
What is the SMILES notation for (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one?
The canonical SMILES for (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one is O=C1O[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)C(O)=C1O.
What is the InChIKey of (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one?
The InChIKey is QBMNZEUSOGEWNK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H16O4/c23-19-20(24)22(26-21(19)25,17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,23-24H/t22-/m0/s1.
What are the key properties of (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one?
(5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one has a molecular weight of 344.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,4-dihydroxy-5-phenyl-5-(4-phenylphenyl)furan-2-one is sourced from PubChem (CID 139914960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).