4-(1-methylcyclopentyl)oxybenzoic acid

C13H16O3 — CID 117045761

IUPAC4-(1-methylcyclopentyl)oxybenzoic acid
SMILESCC1(Oc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C13H16O3/c1-13(8-2-3-9-13)16-11-6-4-10(5-7-11)12(14)15/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyPRHBZMWFUHUJPU-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.10
Rot. Bonds3

About 4-(1-methylcyclopentyl)oxybenzoic acid

4-(1-methylcyclopentyl)oxybenzoic acid (PubChem CID 117045761) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(1-methylcyclopentyl)oxybenzoic acid.

Molecular Properties

Compound Name4-(1-methylcyclopentyl)oxybenzoic acid
PubChem CID117045761
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4-(1-methylcyclopentyl)oxybenzoic acid
SMILESCC1(Oc2ccc(C(=O)O)cc2)CCCC1
InChIInChI=1S/C13H16O3/c1-13(8-2-3-9-13)16-11-6-4-10(5-7-11)12(14)15/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyPRHBZMWFUHUJPU-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid
CID 117096689
2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
CID 117045788
3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid
CID 117045757
1-methyl-1-phenoxycycloheptane
CID 101026780
3-cyclohexyl-2,2-difluoro-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxypropanoate
CID 156684892
1-ethenyl-4-(1-methylcyclopentyl)oxybenzene
CID 19350374
methyl 4-(4-methylpiperidin-4-yl)oxybenzoate
CID 117053542
1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone
CID 117052296
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
terephthalic acid
CID 160582437

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclopentyl)oxybenzoic acid?
The IUPAC name of 4-(1-methylcyclopentyl)oxybenzoic acid (CID 117045761) is 4-(1-methylcyclopentyl)oxybenzoic acid.
What is the SMILES notation for 4-(1-methylcyclopentyl)oxybenzoic acid?
The canonical SMILES for 4-(1-methylcyclopentyl)oxybenzoic acid is CC1(Oc2ccc(C(=O)O)cc2)CCCC1.
What is the InChIKey of 4-(1-methylcyclopentyl)oxybenzoic acid?
The InChIKey is PRHBZMWFUHUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(8-2-3-9-13)16-11-6-4-10(5-7-11)12(14)15/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of 4-(1-methylcyclopentyl)oxybenzoic acid?
4-(1-methylcyclopentyl)oxybenzoic acid has a molecular weight of 220.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopentyl)oxybenzoic acid is sourced from PubChem (CID 117045761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).