2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid

C16H16O3 — CID 67119213

IUPAC2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid
SMILESCc1c(-c2ccc(O)cc2)cccc1C(C)C(=O)O
InChIInChI=1S/C16H16O3/c1-10-14(11(2)16(18)19)4-3-5-15(10)12-6-8-13(17)9-7-12/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyVYONWLVRHJEQBT-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.56
Rot. Bonds3

About 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid

2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid (PubChem CID 67119213) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid
PubChem CID67119213
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid
SMILESCc1c(-c2ccc(O)cc2)cccc1C(C)C(=O)O
InChIInChI=1S/C16H16O3/c1-10-14(11(2)16(18)19)4-3-5-15(10)12-6-8-13(17)9-7-12/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyVYONWLVRHJEQBT-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid
CID 67119258
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid
CID 138535573
2-(2-amino-3-phenylphenyl)propanoic acid
CID 68810052
(2S)-2-(7-hydroxynaphthalen-1-yl)propanoic acid
CID 124560296
2-(2-cyano-3-methyl-4-phenylphenyl)propanoic acid
CID 174993180
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
2-[3-[(Z)-but-2-en-2-yl]-2-methylphenyl]propanoic acid
CID 177029135
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 67119146
2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid
CID 67119386

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid (CID 67119213) is 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid is Cc1c(-c2ccc(O)cc2)cccc1C(C)C(=O)O.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid?
The InChIKey is VYONWLVRHJEQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-14(11(2)16(18)19)4-3-5-15(10)12-6-8-13(17)9-7-12/h3-9,11,17H,1-2H3,(H,18,19).
What are the key properties of 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid?
2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid is sourced from PubChem (CID 67119213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).