(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate

C17H18O3 — CID 177256002

IUPAC(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
SMILESCc1ccc(COC(=O)C(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-13-8-10-14(11-9-13)12-20-16(18)17(2,19)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKeyLJSLPIPPJYVUAZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.95
Rot. Bonds4

About (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate

(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate (PubChem CID 177256002) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
PubChem CID177256002
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
SMILESCc1ccc(COC(=O)C(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-13-8-10-14(11-9-13)12-20-16(18)17(2,19)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKeyLJSLPIPPJYVUAZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,2-difluoro-2-(4-methylphenyl)acetate
CID 170055273
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
benzyl 2-amino-2-phenylpropanoate
CID 54322564
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
CID 65127341
benzyl 2-amino-2-(4-methylphenyl)sulfonyloxy-2-phenylacetate
CID 57244758
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
pyridin-1-ium-1-ylmethyl (2R)-2-hydroxy-2-phenylpropanoate
CID 140699123
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
CID 174747331
(4-tert-butylphenyl)methyl 4-methylbenzoate
CID 926039

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate?
The IUPAC name of (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate (CID 177256002) is (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate.
What is the SMILES notation for (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate?
The canonical SMILES for (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate is Cc1ccc(COC(=O)C(C)(O)c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate?
The InChIKey is LJSLPIPPJYVUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13-8-10-14(11-9-13)12-20-16(18)17(2,19)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate?
(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate has a molecular weight of 270.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 177256002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).