5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid

C18H20O3 — CID 63423926

IUPAC5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccc(CC(C)C)cc2)c(C(=O)O)c1
InChIInChI=1S/C18H20O3/c1-12(2)10-13-4-6-14(7-5-13)16-9-8-15(21-3)11-17(16)18(19)20/h4-9,11-12H,10H2,1-3H3,(H,19,20)
InChIKeyOHJAYDMGWHBQNE-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.26
Rot. Bonds5

About 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid

5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid (PubChem CID 63423926) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
PubChem CID63423926
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccc(CC(C)C)cc2)c(C(=O)O)c1
InChIInChI=1S/C18H20O3/c1-12(2)10-13-4-6-14(7-5-13)16-9-8-15(21-3)11-17(16)18(19)20/h4-9,11-12H,10H2,1-3H3,(H,19,20)
InChIKeyOHJAYDMGWHBQNE-UHFFFAOYSA-N
XLogP4.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-[3-(2-methylpropyl)phenyl]benzoic acid
CID 116545184
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423881
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
[4-methoxy-2-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652180
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423882
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
2-(furan-3-yl)-5-methoxybenzoic acid
CID 63948118
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid?
The IUPAC name of 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid (CID 63423926) is 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid?
The canonical SMILES for 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid is COc1ccc(-c2ccc(CC(C)C)cc2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid?
The InChIKey is OHJAYDMGWHBQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12(2)10-13-4-6-14(7-5-13)16-9-8-15(21-3)11-17(16)18(19)20/h4-9,11-12H,10H2,1-3H3,(H,19,20).
What are the key properties of 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid?
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid has a molecular weight of 284.36 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid is sourced from PubChem (CID 63423926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).