4-(1-methoxypropyl)benzoic acid

C11H14O3 — CID 69343371

IUPAC4-(1-methoxypropyl)benzoic acid
SMILESCCC(OC)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-3-10(14-2)8-4-6-9(7-5-8)11(12)13/h4-7,10H,3H2,1-2H3,(H,12,13)
InChIKeyLNICKCKAGHPROT-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.48
Rot. Bonds4

About 4-(1-methoxypropyl)benzoic acid

4-(1-methoxypropyl)benzoic acid (PubChem CID 69343371) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(1-methoxypropyl)benzoic acid.

Molecular Properties

Compound Name4-(1-methoxypropyl)benzoic acid
PubChem CID69343371
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-(1-methoxypropyl)benzoic acid
SMILESCCC(OC)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14O3/c1-3-10(14-2)8-4-6-9(7-5-8)11(12)13/h4-7,10H,3H2,1-2H3,(H,12,13)
InChIKeyLNICKCKAGHPROT-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[1-(4-carboxyphenyl)butoxycarbonyloxy]butyl]benzoic acid
CID 68502358
1-[4-[(1S)-1-methoxybutyl]phenyl]ethanone
CID 124500308
4-[1-(2-methylbutoxy)ethyl]benzoic acid
CID 14473442
4-[1-(4-carboxyphenyl)octyl]benzoic acid
CID 22642355
4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride
CID 124528657
propanoic acid;terephthalic acid
CID 158352815
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
4-(1-propoxyethyl)benzoic acid
CID 14473433
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-[(1S)-1-amino-3-ethoxy-2,2-difluoro-3-oxopropyl]benzoic acid
CID 171245565
acetaldehyde;4-(4-methoxyhexylsulfanyl)benzoic acid
CID 158116103

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropyl)benzoic acid?
The IUPAC name of 4-(1-methoxypropyl)benzoic acid (CID 69343371) is 4-(1-methoxypropyl)benzoic acid.
What is the SMILES notation for 4-(1-methoxypropyl)benzoic acid?
The canonical SMILES for 4-(1-methoxypropyl)benzoic acid is CCC(OC)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-methoxypropyl)benzoic acid?
The InChIKey is LNICKCKAGHPROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-10(14-2)8-4-6-9(7-5-8)11(12)13/h4-7,10H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-(1-methoxypropyl)benzoic acid?
4-(1-methoxypropyl)benzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropyl)benzoic acid is sourced from PubChem (CID 69343371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).