3-cyclopentyloxy-4-ethylbenzoic acid

C14H18O3 — CID 54073222

IUPAC3-cyclopentyloxy-4-ethylbenzoic acid
SMILESCCc1ccc(C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C14H18O3/c1-2-10-7-8-11(14(15)16)9-13(10)17-12-5-3-4-6-12/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyMHXUHSNOLCPQCI-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.27
Rot. Bonds4

About 3-cyclopentyloxy-4-ethylbenzoic acid

3-cyclopentyloxy-4-ethylbenzoic acid (PubChem CID 54073222) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-ethylbenzoic acid.

Molecular Properties

Compound Name3-cyclopentyloxy-4-ethylbenzoic acid
PubChem CID54073222
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name3-cyclopentyloxy-4-ethylbenzoic acid
SMILESCCc1ccc(C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C14H18O3/c1-2-10-7-8-11(14(15)16)9-13(10)17-12-5-3-4-6-12/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyMHXUHSNOLCPQCI-UHFFFAOYSA-N
XLogP3.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-3-cyclopropyloxybenzoic acid
CID 122501354
4-cyclopropyloxy-3-(hydroxymethyl)benzoic acid;ethane
CID 144796211
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
4-iodo-3-(3-methylcyclohexyl)oxybenzoic acid
CID 114103643
N-(3-cyclopropyloxy-4-ethylphenyl)acetamide
CID 59026368
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
4-cyclohexyl-3-ethoxybenzoic acid
CID 163304407
3-bromo-4-cyclopentyloxy-5-ethoxybenzoic acid
CID 43627080
3-(4-ethylcyclohexyl)oxy-4-nitrobenzoic acid
CID 64747303
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-ethylbenzoic acid?
The IUPAC name of 3-cyclopentyloxy-4-ethylbenzoic acid (CID 54073222) is 3-cyclopentyloxy-4-ethylbenzoic acid.
What is the SMILES notation for 3-cyclopentyloxy-4-ethylbenzoic acid?
The canonical SMILES for 3-cyclopentyloxy-4-ethylbenzoic acid is CCc1ccc(C(=O)O)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-ethylbenzoic acid?
The InChIKey is MHXUHSNOLCPQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-10-7-8-11(14(15)16)9-13(10)17-12-5-3-4-6-12/h7-9,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-cyclopentyloxy-4-ethylbenzoic acid?
3-cyclopentyloxy-4-ethylbenzoic acid has a molecular weight of 234.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-ethylbenzoic acid is sourced from PubChem (CID 54073222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).