(4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one

C19H17Cl2FO3 — CID 13476848

IUPAC(4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2-c2ccc(F)cc2)O1
InChIInChI=1S/C19H17Cl2FO3/c20-12-7-17(11-1-3-13(22)4-2-11)16(18(21)8-12)6-5-15-9-14(23)10-19(24)25-15/h1-4,7-8,14-15,23H,5-6,9-10H2/t14-,15-/m1/s1
InChIKeyWOMHAJVWTUMQTR-HUUCEWRRSA-N
MW383.25 g/mol
LogP4.80
Rot. Bonds4

About (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one

(4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one (PubChem CID 13476848) has the molecular formula C19H17Cl2FO3 and a molecular weight of 383.25 g/mol. Its IUPAC name is (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one
PubChem CID13476848
Molecular FormulaC19H17Cl2FO3
Molecular Weight383.25 g/mol
Exact Mass382.05
IUPAC Name(4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2-c2ccc(F)cc2)O1
InChIInChI=1S/C19H17Cl2FO3/c20-12-7-17(11-1-3-13(22)4-2-11)16(18(21)8-12)6-5-15-9-14(23)10-19(24)25-15/h1-4,7-8,14-15,23H,5-6,9-10H2/t14-,15-/m1/s1
InChIKeyWOMHAJVWTUMQTR-HUUCEWRRSA-N
XLogP4.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,6S)-6-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxyoxan-2-one
CID 67708270
(4R,6R)-6-[3-[2,4-dichloro-6-[(4-fluorophenoxy)methyl]phenyl]propyl]-4-hydroxyoxan-2-one
CID 71451000
(4R,6S)-6-[2-[6-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]ethyl]-4-hydroxyoxan-2-one
CID 57159253
(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-hydroxy-6,6-dimethylcyclohexen-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 54071044
6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one
CID 19900526
(4S,6S)-6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-(1H-pyrrol-2-yl)pyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one
CID 70363543
6-[2-[5-(4-fluorophenyl)-3-propan-2-yl-1-(1H-pyrrol-2-yl)pyrazol-4-yl]ethyl]-4-hydroxyoxan-2-one
CID 19900510
[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine
CID 19807615
4-hydroxy-6-[2-(2-methyl-4-phenyl-3-pyridinyl)ethyl]oxan-2-one
CID 14652685
(4R,6R)-6-[2-[3,4-diethyl-2-(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 54066102
(4R,6S)-6-[[4-chloro-2-[3-(4-fluorophenoxy)propyl]-6-methylphenoxy]methyl]-4-hydroxyoxan-2-one
CID 15095033
(4R,6R)-6-[2-[1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroisoindol-2-yl]ethyl]-4-hydroxyoxan-2-one
CID 54515275

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one (CID 13476848) is (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one is O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2-c2ccc(F)cc2)O1.
What is the InChIKey of (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one?
The InChIKey is WOMHAJVWTUMQTR-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H17Cl2FO3/c20-12-7-17(11-1-3-13(22)4-2-11)16(18(21)8-12)6-5-15-9-14(23)10-19(24)25-15/h1-4,7-8,14-15,23H,5-6,9-10H2/t14-,15-/m1/s1.
What are the key properties of (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one?
(4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one has a molecular weight of 383.25 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[2-[2,4-dichloro-6-(4-fluorophenyl)phenyl]ethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 13476848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).