3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid

C21H18O3 — CID 57248171

IUPAC3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(-c3ccccc3)ccc2C)c1
InChIInChI=1S/C21H18O3/c1-14-8-9-16(15-6-4-3-5-7-15)13-20(14)17-10-18(21(22)23)12-19(11-17)24-2/h3-13H,1-2H3,(H,22,23)
InChIKeyVAVBKHGDUQWWGA-UHFFFAOYSA-N
MW318.37 g/mol
LogP5.04
Rot. Bonds4

About 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid

3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid (PubChem CID 57248171) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid
PubChem CID57248171
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(-c3ccccc3)ccc2C)c1
InChIInChI=1S/C21H18O3/c1-14-8-9-16(15-6-4-3-5-7-15)13-20(14)17-10-18(21(22)23)12-19(11-17)24-2/h3-13H,1-2H3,(H,22,23)
InChIKeyVAVBKHGDUQWWGA-UHFFFAOYSA-N
XLogP5.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
3-[2-(dimethylsulfamoyl)phenyl]-5-methoxybenzoic acid
CID 53228760
methyl 3-methoxy-5-phenylbenzoate
CID 71086676
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
3-[4-(dimethylsulfamoyl)phenyl]-5-methoxybenzoic acid
CID 53228822
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
CID 53227681
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid?
The IUPAC name of 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid (CID 57248171) is 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid.
What is the SMILES notation for 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid?
The canonical SMILES for 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid is COc1cc(C(=O)O)cc(-c2cc(-c3ccccc3)ccc2C)c1.
What is the InChIKey of 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid?
The InChIKey is VAVBKHGDUQWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-14-8-9-16(15-6-4-3-5-7-15)13-20(14)17-10-18(21(22)23)12-19(11-17)24-2/h3-13H,1-2H3,(H,22,23).
What are the key properties of 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid?
3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid has a molecular weight of 318.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid is sourced from PubChem (CID 57248171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).