2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid

C17H18O3 — CID 67119258

IUPAC2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid
SMILESCc1c(-c2ccc(O)cc2)ccc(C(C)C(=O)O)c1C
InChIInChI=1S/C17H18O3/c1-10-11(2)16(13-4-6-14(18)7-5-13)9-8-15(10)12(3)17(19)20/h4-9,12,18H,1-3H3,(H,19,20)
InChIKeySVHGEKAYHTVKCE-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.86
Rot. Bonds3

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

2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid (PubChem CID 67119258) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid
PubChem CID67119258
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid
SMILESCc1c(-c2ccc(O)cc2)ccc(C(C)C(=O)O)c1C
InChIInChI=1S/C17H18O3/c1-10-11(2)16(13-4-6-14(18)7-5-13)9-8-15(10)12(3)17(19)20/h4-9,12,18H,1-3H3,(H,19,20)
InChIKeySVHGEKAYHTVKCE-UHFFFAOYSA-N
XLogP3.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-hydroxyphenyl)-2-methylphenyl]propanoic acid
CID 67119213
2-(2-cyano-3-methyl-4-phenylphenyl)propanoic acid
CID 174993180
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 67119146
2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
CID 121015128
2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
CID 165347543
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
2-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid
CID 154512610
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
2-(2-amino-3-phenylphenyl)propanoic acid
CID 68810052
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid?
The IUPAC name of 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid (CID 67119258) is 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid is Cc1c(-c2ccc(O)cc2)ccc(C(C)C(=O)O)c1C.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid?
The InChIKey is SVHGEKAYHTVKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-10-11(2)16(13-4-6-14(18)7-5-13)9-8-15(10)12(3)17(19)20/h4-9,12,18H,1-3H3,(H,19,20).
What are the key properties of 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid?
2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)-2,3-dimethylphenyl]propanoic acid is sourced from PubChem (CID 67119258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).