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

C20H20Cl2O4 — CID 13186026

IUPAC(4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccccc2)O1
InChIInChI=1S/C20H20Cl2O4/c21-14-8-18(22)17(7-6-16-10-15(23)11-20(24)26-16)19(9-14)25-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23H,6-7,10-12H2/t15-,16-/m1/s1
InChIKeyGMFRNTNFNHPQRE-HZPDHXFCSA-N
MW395.28 g/mol
LogP4.57
Rot. Bonds6

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

(4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one (PubChem CID 13186026) has the molecular formula C20H20Cl2O4 and a molecular weight of 395.28 g/mol. Its IUPAC name is (4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one
PubChem CID13186026
Molecular FormulaC20H20Cl2O4
Molecular Weight395.28 g/mol
Exact Mass394.07
IUPAC Name(4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one
SMILESO=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccccc2)O1
InChIInChI=1S/C20H20Cl2O4/c21-14-8-18(22)17(7-6-16-10-15(23)11-20(24)26-16)19(9-14)25-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23H,6-7,10-12H2/t15-,16-/m1/s1
InChIKeyGMFRNTNFNHPQRE-HZPDHXFCSA-N
XLogP4.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one (CID 13186026) is (4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one is O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccccc2)O1.
What is the InChIKey of (4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one?
The InChIKey is GMFRNTNFNHPQRE-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H20Cl2O4/c21-14-8-18(22)17(7-6-16-10-15(23)11-20(24)26-16)19(9-14)25-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23H,6-7,10-12H2/t15-,16-/m1/s1.
What are the key properties of (4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one?
(4R,6R)-6-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one has a molecular weight of 395.28 g/mol, XLogP of 4.57, 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-phenylmethoxyphenyl)ethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 13186026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).