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

C16H15ClO3 — CID 59052450

IUPAC(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1O)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-10(15(19)11-6-8-12(17)9-7-11)16(20)13-4-2-3-5-14(13)18/h2-10,15,18-19H,1H3/t10-,15-/m1/s1
InChIKeyWCMHYNYHOLDHFS-MEBBXXQBSA-N
MW290.75 g/mol
LogP3.60
Rot. Bonds4

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

(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one (PubChem CID 59052450) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one
PubChem CID59052450
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1O)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-10(15(19)11-6-8-12(17)9-7-11)16(20)13-4-2-3-5-14(13)18/h2-10,15,18-19H,1H3/t10-,15-/m1/s1
InChIKeyWCMHYNYHOLDHFS-MEBBXXQBSA-N
XLogP3.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-1-(2-hydroxyphenyl)propan-1-one
CID 154710089
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
CID 7535126
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
(1S,2S)-1-(4-chlorophenyl)-2-methyl-3-phenylsulfanylbut-3-en-1-ol
CID 101257190
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one?
The IUPAC name of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one (CID 59052450) is (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one is C[C@@H](C(=O)c1ccccc1O)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one?
The InChIKey is WCMHYNYHOLDHFS-MEBBXXQBSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10(15(19)11-6-8-12(17)9-7-11)16(20)13-4-2-3-5-14(13)18/h2-10,15,18-19H,1H3/t10-,15-/m1/s1.
What are the key properties of (2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one?
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one has a molecular weight of 290.75 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 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-(2-hydroxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 59052450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).