4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid

C14H18O4 — CID 107671203

IUPAC4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
SMILESCc1cc(OCC2(O)CCCC2)ccc1C(=O)O
InChIInChI=1S/C14H18O4/c1-10-8-11(4-5-12(10)13(15)16)18-9-14(17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyQIOQUSVXEUOBOC-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.38
Rot. Bonds4

About 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid

4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid (PubChem CID 107671203) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
PubChem CID107671203
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
SMILESCc1cc(OCC2(O)CCCC2)ccc1C(=O)O
InChIInChI=1S/C14H18O4/c1-10-8-11(4-5-12(10)13(15)16)18-9-14(17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyQIOQUSVXEUOBOC-UHFFFAOYSA-N
XLogP2.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyl-4-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65212688
4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid
CID 65213790
2-methyl-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid
CID 107671260
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 155991838
[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 155991711
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 155991968
4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid
CID 107671136
3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111539418
4-(4,4-dimethylpent-2-ynoxy)-2-methylbenzoic acid
CID 114189750
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid (CID 107671203) is 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid is Cc1cc(OCC2(O)CCCC2)ccc1C(=O)O.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid?
The InChIKey is QIOQUSVXEUOBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-10-8-11(4-5-12(10)13(15)16)18-9-14(17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,16).
What are the key properties of 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid?
4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid has a molecular weight of 250.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid is sourced from PubChem (CID 107671203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).