(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one

C17H18O3 — CID 102254058

IUPAC(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
SMILESCOc1ccccc1C(=O)[C@H](O)[C@H](C)c1ccccc1
InChIInChI=1S/C17H18O3/c1-12(13-8-4-3-5-9-13)16(18)17(19)14-10-6-7-11-15(14)20-2/h3-12,16,18H,1-2H3/t12-,16-/m1/s1
InChIKeyZHPJPWXLIPVTAU-MLGOLLRUSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds5

About (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one

(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one (PubChem CID 102254058) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
PubChem CID102254058
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
SMILESCOc1ccccc1C(=O)[C@H](O)[C@H](C)c1ccccc1
InChIInChI=1S/C17H18O3/c1-12(13-8-4-3-5-9-13)16(18)17(19)14-10-6-7-11-15(14)20-2/h3-12,16,18H,1-2H3/t12-,16-/m1/s1
InChIKeyZHPJPWXLIPVTAU-MLGOLLRUSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 101235083
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-(2-methoxyphenyl)hexan-1-one
CID 118952443
2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoic acid
CID 54172457
2,4,4-trifluoro-1-(2-methoxyphenyl)butane-1,3-dione
CID 87600233
(2R,3R)-3-(4-bromophenyl)-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one
CID 101242769
3-(2-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924250

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one?
The IUPAC name of (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one (CID 102254058) is (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one.
What is the SMILES notation for (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one?
The canonical SMILES for (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one is COc1ccccc1C(=O)[C@H](O)[C@H](C)c1ccccc1.
What is the InChIKey of (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one?
The InChIKey is ZHPJPWXLIPVTAU-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(13-8-4-3-5-9-13)16(18)17(19)14-10-6-7-11-15(14)20-2/h3-12,16,18H,1-2H3/t12-,16-/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one?
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one is sourced from PubChem (CID 102254058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).