propan-2-yl 2-hydroxy-2,3-diphenylpropanoate

C18H20O3 — CID 68875154

IUPACpropan-2-yl 2-hydroxy-2,3-diphenylpropanoate
SMILESCC(C)OC(=O)C(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-14(2)21-17(19)18(20,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3
InChIKeySVJQQFSTDSBOGB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.07
Rot. Bonds5

About propan-2-yl 2-hydroxy-2,3-diphenylpropanoate

propan-2-yl 2-hydroxy-2,3-diphenylpropanoate (PubChem CID 68875154) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-2,3-diphenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-2,3-diphenylpropanoate
PubChem CID68875154
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namepropan-2-yl 2-hydroxy-2,3-diphenylpropanoate
SMILESCC(C)OC(=O)C(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-14(2)21-17(19)18(20,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3
InChIKeySVJQQFSTDSBOGB-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-hydroxy-2,3-diphenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl (2S)-2-hydroxy-3-nitro-2-phenylpropanoate
CID 125473919
prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate
CID 54410738
dipropan-2-yl 2-ethyl-2-phenylpropanedioate
CID 118088427
propan-2-yl 2,2-dimethyl-3-trityloxypropanoate
CID 135147480
(2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate
CID 54462565
diaziridin-3-one;propan-2-yl 2-methyl-2-phenylpropanoate
CID 70622755
propan-2-yl 2-hydroxy-2-isocyanato-4-phenylbutanoate
CID 141033065
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449
2-methyl-2,3-diphenyl-N-propan-2-ylpropanamide
CID 110299373

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-2,3-diphenylpropanoate?
The IUPAC name of propan-2-yl 2-hydroxy-2,3-diphenylpropanoate (CID 68875154) is propan-2-yl 2-hydroxy-2,3-diphenylpropanoate.
What is the SMILES notation for propan-2-yl 2-hydroxy-2,3-diphenylpropanoate?
The canonical SMILES for propan-2-yl 2-hydroxy-2,3-diphenylpropanoate is CC(C)OC(=O)C(O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of propan-2-yl 2-hydroxy-2,3-diphenylpropanoate?
The InChIKey is SVJQQFSTDSBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14(2)21-17(19)18(20,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3.
What are the key properties of propan-2-yl 2-hydroxy-2,3-diphenylpropanoate?
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate has a molecular weight of 284.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-2,3-diphenylpropanoate is sourced from PubChem (CID 68875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).