2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid

C16H16O3 — CID 174723057

IUPAC2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid
SMILESCc1ccc(O)c(C(C)(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-11-8-9-14(17)13(10-11)16(2,15(18)19)12-6-4-3-5-7-12/h3-10,17H,1-2H3,(H,18,19)
InChIKeyCBDYLSOVFJEGDR-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.09
Rot. Bonds3

About 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid

2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid (PubChem CID 174723057) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid
PubChem CID174723057
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid
SMILESCc1ccc(O)c(C(C)(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-11-8-9-14(17)13(10-11)16(2,15(18)19)12-6-4-3-5-7-12/h3-10,17H,1-2H3,(H,18,19)
InChIKeyCBDYLSOVFJEGDR-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid
CID 152546221
2-[3,4-bis(dimethylamino)phenyl]-2-(2-hydroxyphenyl)propanoic acid
CID 22411851
2-tert-butylphenol;toluene
CID 175493501
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
N-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]acetamide
CID 14711638
4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol
CID 91605400
bis(2-tert-butyl-4-methylphenol);dichlorozirconium
CID 21185304
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
CID 13307804
4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid?
The IUPAC name of 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid (CID 174723057) is 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid is Cc1ccc(O)c(C(C)(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid?
The InChIKey is CBDYLSOVFJEGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-8-9-14(17)13(10-11)16(2,15(18)19)12-6-4-3-5-7-12/h3-10,17H,1-2H3,(H,18,19).
What are the key properties of 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid?
2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 174723057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).