methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate

C17H18O3 — CID 570026

IUPACmethyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate
SMILESCOC(=O)C(C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O3/c1-13(16(18)20-2)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,1-2H3
InChIKeyOATZMWCNULWKMS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.73
Rot. Bonds4

About methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate

methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate (PubChem CID 570026) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate
PubChem CID570026
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate
SMILESCOC(=O)C(C)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O3/c1-13(16(18)20-2)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,1-2H3
InChIKeyOATZMWCNULWKMS-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzilic acid
CID 6463
(+-)-Cyclohexylphenylglycolic acid
CID 97700
Fencibutirol
CID 71170
rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 68776
Methyl benzilate
CID 66159
1-Hydroxy-alpha-phenylcyclopentylacetic acid
CID 91332
Ethyl 3-phenylhydracrylate, (+-)-
CID 99818
Xenbucin
CID 13737
Mls002638215
CID 223673
Methyl 3-hydroxy-2-phenylpropanoate
CID 239086
Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester
CID 117278
4-Hydroxy-3,4-diphenyl-cyclopent-2-enone
CID 227383

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate?
The IUPAC name of methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate (CID 570026) is methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate?
The canonical SMILES for methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate is COC(=O)C(C)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate?
The InChIKey is OATZMWCNULWKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13(16(18)20-2)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,1-2H3.
What are the key properties of methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate?
methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate has a molecular weight of 270.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate is sourced from PubChem (CID 570026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).