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

C20H19Cl2FO4 — CID 13186038

IUPAC(4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1
InChIInChI=1S/C20H19Cl2FO4/c21-13-7-18(22)17(6-5-16-9-15(24)10-20(25)27-16)19(8-13)26-11-12-1-3-14(23)4-2-12/h1-4,7-8,15-16,24H,5-6,9-11H2/t15-,16-/m1/s1
InChIKeyYOFPIUPACOQONI-HZPDHXFCSA-N
MW413.27 g/mol
LogP4.71
Rot. Bonds6

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

(4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one (PubChem CID 13186038) has the molecular formula C20H19Cl2FO4 and a molecular weight of 413.27 g/mol. Its IUPAC name is (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one
PubChem CID13186038
Molecular FormulaC20H19Cl2FO4
Molecular Weight413.27 g/mol
Exact Mass412.06
IUPAC Name(4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1
InChIInChI=1S/C20H19Cl2FO4/c21-13-7-18(22)17(6-5-16-9-15(24)10-20(25)27-16)19(8-13)26-11-12-1-3-14(23)4-2-12/h1-4,7-8,15-16,24H,5-6,9-11H2/t15-,16-/m1/s1
InChIKeyYOFPIUPACOQONI-HZPDHXFCSA-N
XLogP4.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-Chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic acid
CID 10221192
(4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one
CID 13186026
3-[2-Chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-3-ethoxypropanoic acid
CID 58172978
6-[2-(2-Benzyloxy-4,6-dichloro-phenyl)-vinyl]-4-hydroxy-tetrahydro-pyran-2-one
CID 70431406
(3S)-4-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl-hydroxyphosphoryl]-3-hydroxybutanoic acid
CID 44285652
(3R,5R)-7-(2,4-dichloro-6-phenylmethoxyphenyl)-3,5-dihydroxyheptanoic acid
CID 44285668
(4R,6R)-6-[2-[2,4-dichloro-6-(phenoxymethyl)phenyl]ethyl]-4-hydroxyoxan-2-one
CID 13553219
6-[2-(2,4-Dichloro-6-phenoxy-phenyl)-ethyl]-4-hydroxy-tetrahydro-pyran-2-one
CID 44291741
6-[2-(2,4-Dichloro-6-cyclohexylmethoxy-phenyl)-ethyl]-4-hydroxy-tetrahydro-pyran-2-one
CID 44291743
6-{2-[2,4-Dichloro-6-(3-fluoro-benzyloxy)-phenyl]-ethyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 44291874
6-{2-[2,4-Dichloro-6-(2-fluoro-benzyloxy)-phenyl]-ethyl}-4-hydroxy-tetrahydro-pyran-2-one
CID 44292103
(4R,6R)-6-[3-[2,4-dichloro-6-[(4-fluorophenoxy)methyl]phenyl]propyl]-4-hydroxyoxan-2-one
CID 71451000

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one (CID 13186038) is (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one is O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1.
What is the InChIKey of (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one?
The InChIKey is YOFPIUPACOQONI-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H19Cl2FO4/c21-13-7-18(22)17(6-5-16-9-15(24)10-20(25)27-16)19(8-13)26-11-12-1-3-14(23)4-2-12/h1-4,7-8,15-16,24H,5-6,9-11H2/t15-,16-/m1/s1.
What are the key properties of (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one?
(4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one has a molecular weight of 413.27 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[2-[2,4-dichloro-6-[(4-fluorophenyl)methoxy]phenyl]ethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 13186038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).