4-[3-(4-methoxyphenyl)propyl]benzoic acid

C17H18O3 — CID 102282707

IUPAC4-[3-(4-methoxyphenyl)propyl]benzoic acid
SMILESCOc1ccc(CCCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-20-16-11-7-14(8-12-16)4-2-3-13-5-9-15(10-6-13)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)
InChIKeyWBOKGDBBYARGDU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.57
Rot. Bonds6

About 4-[3-(4-methoxyphenyl)propyl]benzoic acid

4-[3-(4-methoxyphenyl)propyl]benzoic acid (PubChem CID 102282707) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)propyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)propyl]benzoic acid
PubChem CID102282707
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-[3-(4-methoxyphenyl)propyl]benzoic acid
SMILESCOc1ccc(CCCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-20-16-11-7-14(8-12-16)4-2-3-13-5-9-15(10-6-13)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)
InChIKeyWBOKGDBBYARGDU-UHFFFAOYSA-N
XLogP3.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxybenzoic acid;4-methoxybenzoic acid;4-pentylphenol
CID 70601165
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
4-[2-[3-[2-(4-carboxyphenyl)ethyl]-5-methoxyphenyl]ethyl]benzoic acid
CID 171715372
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
4-[[carbamoyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 67078697
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)propyl]benzoic acid?
The IUPAC name of 4-[3-(4-methoxyphenyl)propyl]benzoic acid (CID 102282707) is 4-[3-(4-methoxyphenyl)propyl]benzoic acid.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)propyl]benzoic acid?
The canonical SMILES for 4-[3-(4-methoxyphenyl)propyl]benzoic acid is COc1ccc(CCCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)propyl]benzoic acid?
The InChIKey is WBOKGDBBYARGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-20-16-11-7-14(8-12-16)4-2-3-13-5-9-15(10-6-13)17(18)19/h5-12H,2-4H2,1H3,(H,18,19).
What are the key properties of 4-[3-(4-methoxyphenyl)propyl]benzoic acid?
4-[3-(4-methoxyphenyl)propyl]benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)propyl]benzoic acid is sourced from PubChem (CID 102282707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).