(2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one

C13H13ClO6 — CID 70535901

IUPAC(2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(OCc2ccccc2Cl)=C1O
InChIInChI=1S/C13H13ClO6/c14-8-4-2-1-3-7(8)6-19-12-10(17)13(18)20-11(12)9(16)5-15/h1-4,9,11,15-17H,5-6H2/t9-,11+/m0/s1
InChIKeyOFTQJYWDZZQSRL-GXSJLCMTSA-N
MW300.69 g/mol
LogP0.90
Rot. Bonds5

About (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one

(2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one (PubChem CID 70535901) has the molecular formula C13H13ClO6 and a molecular weight of 300.69 g/mol. Its IUPAC name is (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one
PubChem CID70535901
Molecular FormulaC13H13ClO6
Molecular Weight300.69 g/mol
Exact Mass300.04
IUPAC Name(2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(OCc2ccccc2Cl)=C1O
InChIInChI=1S/C13H13ClO6/c14-8-4-2-1-3-7(8)6-19-12-10(17)13(18)20-11(12)9(16)5-15/h1-4,9,11,15-17H,5-6H2/t9-,11+/m0/s1
InChIKeyOFTQJYWDZZQSRL-GXSJLCMTSA-N
XLogP0.90
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-heptadecoxy-4-hydroxy-2H-furan-5-one
CID 18600174
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;sulfuric acid
CID 66675533
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] (2S)-2,6-diaminohexanoate
CID 20764173
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride
CID 173014999
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-(3,7,11-trimethyldodec-2-enoxy)-2H-furan-5-one
CID 70873020
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] hexadecanoate;propane-1,2-diol
CID 121472747
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
CID 118281516
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;bis(4-(methylamino)phenol);sulfuric acid
CID 67597841
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one
CID 54740315
1-aminopropan-1-ol;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 175816222
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one
CID 10585525

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one (CID 70535901) is (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CO)C(OCc2ccccc2Cl)=C1O.
What is the InChIKey of (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one?
The InChIKey is OFTQJYWDZZQSRL-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H13ClO6/c14-8-4-2-1-3-7(8)6-19-12-10(17)13(18)20-11(12)9(16)5-15/h1-4,9,11,15-17H,5-6H2/t9-,11+/m0/s1.
What are the key properties of (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one?
(2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one has a molecular weight of 300.69 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2-chlorophenyl)methoxy]-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 70535901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).