methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate

C24H24O4 — CID 95654466

IUPACmethyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)[C@](C)(c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24O4/c1-24(23(26)27-2,20-11-7-4-8-12-20)22(25)19-13-15-21(16-14-19)28-17-18-9-5-3-6-10-18/h3-16,22,25H,17H2,1-2H3/t22-,24-/m1/s1
InChIKeyJEQBEZLHAWBLCD-ISKFKSNPSA-N
MW376.45 g/mol
LogP4.43
Rot. Bonds7

About methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate

methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 95654466) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID95654466
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Namemethyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)[C@](C)(c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24O4/c1-24(23(26)27-2,20-11-7-4-8-12-20)22(25)19-13-15-21(16-14-19)28-17-18-9-5-3-6-10-18/h3-16,22,25H,17H2,1-2H3/t22-,24-/m1/s1
InChIKeyJEQBEZLHAWBLCD-ISKFKSNPSA-N
XLogP4.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
methyl (3R)-3-amino-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171243427
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 167753777
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)propanoic acid
CID 175994952
ethyl 2-(3-fluorophenoxy)-3-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoate
CID 69354009
methyl 3-hydroxy-4-methyl-2-[1-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666709
(4-methoxyphenyl) (2S,3R)-3-hydroxy-2-methyl-3-phenyl-2-phenylmethoxypropanoate
CID 10894477
4-O-tert-butyl 1-O-methyl 2-(4-phenylmethoxyphenyl)butanedioate
CID 131723198
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate (CID 95654466) is methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate is COC(=O)[C@](C)(c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is JEQBEZLHAWBLCD-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H24O4/c1-24(23(26)27-2,20-11-7-4-8-12-20)22(25)19-13-15-21(16-14-19)28-17-18-9-5-3-6-10-18/h3-16,22,25H,17H2,1-2H3/t22-,24-/m1/s1.
What are the key properties of methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate?
methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 376.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 95654466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).