(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one

C17H17ClO3 — CID 102032206

IUPAC(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)[C@H](C)[C@@H](O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3/c1-11(16(19)12-3-7-14(18)8-4-12)17(20)13-5-9-15(21-2)10-6-13/h3-11,16,19H,1-2H3/t11-,16-/m1/s1
InChIKeyJGYQTAAFVGMSJU-BDJLRTHQSA-N
MW304.77 g/mol
LogP3.90
Rot. Bonds5

About (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one

(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 102032206) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
PubChem CID102032206
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)[C@H](C)[C@@H](O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3/c1-11(16(19)12-3-7-14(18)8-4-12)17(20)13-5-9-15(21-2)10-6-13/h3-11,16,19H,1-2H3/t11-,16-/m1/s1
InChIKeyJGYQTAAFVGMSJU-BDJLRTHQSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 59486536
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-2,4,4-trimethylpentan-3-one
CID 13299699
(2R,3R)-4,4,4-trifluoro-3-hydroxy-1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 101058066
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
S-(4-methoxyphenyl) (2S,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanethioate
CID 102533786
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one (CID 102032206) is (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one is COc1ccc(C(=O)[C@H](C)[C@@H](O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is JGYQTAAFVGMSJU-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11(16(19)12-3-7-14(18)8-4-12)17(20)13-5-9-15(21-2)10-6-13/h3-11,16,19H,1-2H3/t11-,16-/m1/s1.
What are the key properties of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one?
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 304.77 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 102032206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).