3-[1-(4-hydroxyphenyl)pentyl]benzoic acid

C18H20O3 — CID 175347324

IUPAC3-[1-(4-hydroxyphenyl)pentyl]benzoic acid
SMILESCCCCC(c1ccc(O)cc1)c1cccc(C(=O)O)c1
InChIInChI=1S/C18H20O3/c1-2-3-7-17(13-8-10-16(19)11-9-13)14-5-4-6-15(12-14)18(20)21/h4-6,8-12,17,19H,2-3,7H2,1H3,(H,20,21)
InChIKeyXOZGHFUPKXUPMA-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.41
Rot. Bonds6

About 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid

3-[1-(4-hydroxyphenyl)pentyl]benzoic acid (PubChem CID 175347324) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)pentyl]benzoic acid
PubChem CID175347324
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-[1-(4-hydroxyphenyl)pentyl]benzoic acid
SMILESCCCCC(c1ccc(O)cc1)c1cccc(C(=O)O)c1
InChIInChI=1S/C18H20O3/c1-2-3-7-17(13-8-10-16(19)11-9-13)14-5-4-6-15(12-14)18(20)21/h4-6,8-12,17,19H,2-3,7H2,1H3,(H,20,21)
InChIKeyXOZGHFUPKXUPMA-UHFFFAOYSA-N
XLogP4.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-carboxyphenyl)octyl]benzoic acid
CID 22642355
4-hydroxy-3-(1-phenylhexyl)benzoic acid
CID 123966093
4-hydroxybenzoic acid;3-methylheptane
CID 66663294
hexadecane;4-hydroxybenzoic acid
CID 66671223
3-(1,5-dihydroxyhexyl)benzoic acid
CID 175571650
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
1,3-bis[1-(4-butylsulfanylphenyl)hexyl]benzene
CID 121386970
5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid
CID 70572176
4-[1-(4-heptylphenyl)heptyl]benzoic acid
CID 67568318
4-(2-methylheptan-3-yl)phenol
CID 174396505
3-[(2R)-3-methylbutan-2-yl]benzoic acid
CID 167265147
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid?
The IUPAC name of 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid (CID 175347324) is 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid is CCCCC(c1ccc(O)cc1)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid?
The InChIKey is XOZGHFUPKXUPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-3-7-17(13-8-10-16(19)11-9-13)14-5-4-6-15(12-14)18(20)21/h4-6,8-12,17,19H,2-3,7H2,1H3,(H,20,21).
What are the key properties of 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid?
3-[1-(4-hydroxyphenyl)pentyl]benzoic acid has a molecular weight of 284.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)pentyl]benzoic acid is sourced from PubChem (CID 175347324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).