3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid

C16H16O3 — CID 68870156

IUPAC3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
SMILESCc1ccc(O)c(-c2cccc(CCC(=O)O)c2)c1
InChIInChI=1S/C16H16O3/c1-11-5-7-15(17)14(9-11)13-4-2-3-12(10-13)6-8-16(18)19/h2-5,7,9-10,17H,6,8H2,1H3,(H,18,19)
InChIKeyRQOOZJHAJGAITA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.38
Rot. Bonds4

About 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid

3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid (PubChem CID 68870156) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
PubChem CID68870156
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
SMILESCc1ccc(O)c(-c2cccc(CCC(=O)O)c2)c1
InChIInChI=1S/C16H16O3/c1-11-5-7-15(17)14(9-11)13-4-2-3-12(10-13)6-8-16(18)19/h2-5,7,9-10,17H,6,8H2,1H3,(H,18,19)
InChIKeyRQOOZJHAJGAITA-UHFFFAOYSA-N
XLogP3.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
CID 82120152
4-methyl-2-(3-propylphenyl)phenol
CID 116546527
ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
CID 166450114
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
CID 82541048
3-(2-hydroxy-5-methylphenyl)benzaldehyde
CID 82039069
3-[4-[[3-(4-methylphenyl)phenyl]methylamino]phenyl]propanoic acid
CID 54583099
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate
CID 10659778
(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
CID 82544146
2-[4-(aminomethyl)phenyl]-4-methylphenol
CID 82039072
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid (CID 68870156) is 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid is Cc1ccc(O)c(-c2cccc(CCC(=O)O)c2)c1.
What is the InChIKey of 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid?
The InChIKey is RQOOZJHAJGAITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-5-7-15(17)14(9-11)13-4-2-3-12(10-13)6-8-16(18)19/h2-5,7,9-10,17H,6,8H2,1H3,(H,18,19).
What are the key properties of 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid?
3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 68870156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).