3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid

C13H15ClO4 — CID 894048

IUPAC3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C13H15ClO4/c1-17-11-7-8(13(15)16)6-10(14)12(11)18-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,15,16)
InChIKeyUYUBJGCPOOUMST-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.37
Rot. Bonds4

About 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid

3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid (PubChem CID 894048) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
PubChem CID894048
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C13H15ClO4/c1-17-11-7-8(13(15)16)6-10(14)12(11)18-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,15,16)
InChIKeyUYUBJGCPOOUMST-UHFFFAOYSA-N
XLogP3.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
CID 158093078
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
3-chloro-4,5-dicyclopentyloxybenzoic acid;methyl 4-aminobenzoate;methyl 4-[(3-chloro-4,5-dicyclopentyloxybenzoyl)amino]benzoate
CID 159957850
3-bromo-4-cyclopentyloxy-5-ethoxybenzoic acid
CID 43627080
5-chloro-6-cyclopentyloxypyridine-3-carboxylic acid
CID 16796007
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate
CID 117053281
3-chloro-5-methoxy-4-[(5-oxopyrrolidin-2-yl)methoxy]benzoic acid
CID 117053259
3-chloro-4-(2-hydroxyacetyl)oxy-5-methoxybenzoic acid
CID 117053258
3-chloro-4-(cyanomethoxy)-5-methoxybenzoic acid
CID 28898022

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid?
The IUPAC name of 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid (CID 894048) is 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid.
What is the SMILES notation for 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid?
The canonical SMILES for 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(Cl)c1OC1CCCC1.
What is the InChIKey of 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid?
The InChIKey is UYUBJGCPOOUMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c1-17-11-7-8(13(15)16)6-10(14)12(11)18-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid?
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid has a molecular weight of 270.71 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid is sourced from PubChem (CID 894048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).