(2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one

C16H10Cl2O4 — CID 70138199

IUPAC(2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@H](c2ccc(-c3ccc(Cl)cc3Cl)cc2)C(O)=C1O
InChIInChI=1S/C16H10Cl2O4/c17-10-5-6-11(12(18)7-10)8-1-3-9(4-2-8)15-13(19)14(20)16(21)22-15/h1-7,15,19-20H/t15-/m1/s1
InChIKeyUUUSYVZFZZKQRG-OAHLLOKOSA-N
MW337.16 g/mol
LogP4.59
Rot. Bonds2

About (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one

(2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 70138199) has the molecular formula C16H10Cl2O4 and a molecular weight of 337.16 g/mol. Its IUPAC name is (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID70138199
Molecular FormulaC16H10Cl2O4
Molecular Weight337.16 g/mol
Exact Mass336.00
IUPAC Name(2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@H](c2ccc(-c3ccc(Cl)cc3Cl)cc2)C(O)=C1O
InChIInChI=1S/C16H10Cl2O4/c17-10-5-6-11(12(18)7-10)8-1-3-9(4-2-8)15-13(19)14(20)16(21)22-15/h1-7,15,19-20H/t15-/m1/s1
InChIKeyUUUSYVZFZZKQRG-OAHLLOKOSA-N
XLogP4.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-(4-chlorophenyl)-3-hydroxy-2H-furan-5-one
CID 134101500
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
[(2S)-2-(4-chlorophenyl)-3-hydroxy-5-oxo-2H-furan-4-yl] 2,2-dimethylpropanoate
CID 54699116
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 133093059
[3-(2,4-dichlorophenyl)phenyl]methanol
CID 11139638
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
4-[5-(2,4-dichlorophenyl)-2-methylphenyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
CID 58515843
(Z)-3-[4-(2,4-dichlorophenyl)phenyl]but-2-enoic acid
CID 21322547

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one (CID 70138199) is (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one is O=C1O[C@H](c2ccc(-c3ccc(Cl)cc3Cl)cc2)C(O)=C1O.
What is the InChIKey of (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is UUUSYVZFZZKQRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H10Cl2O4/c17-10-5-6-11(12(18)7-10)8-1-3-9(4-2-8)15-13(19)14(20)16(21)22-15/h1-7,15,19-20H/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one?
(2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 337.16 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,4-dichlorophenyl)phenyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 70138199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).