5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid

C13H15FO4 — CID 22145848

IUPAC5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
SMILESCOc1cc(F)c(C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C13H15FO4/c1-17-11-7-10(14)9(13(15)16)6-12(11)18-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyFWKYGMQAMBXXHB-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.85
Rot. Bonds4

About 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid

5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid (PubChem CID 22145848) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid.

Molecular Properties

Compound Name5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
PubChem CID22145848
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
SMILESCOc1cc(F)c(C(=O)O)cc1OC1CCCC1
InChIInChI=1S/C13H15FO4/c1-17-11-7-10(14)9(13(15)16)6-12(11)18-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyFWKYGMQAMBXXHB-UHFFFAOYSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride
CID 22145711
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 22145674
5-cyclopentyloxy-N-(2,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
CID 22145684
4-cyclopentyloxy-5-methoxy-2-nitrobenzoic acid
CID 43311662
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 22145771
5-cyclopentyloxy-2-fluoro-4-methoxy-N-pyrimidin-2-ylbenzamide
CID 22145827
5-cyclopentyloxy-N-(3,5-dimethyl-4-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 22145816
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
N-(4-chloro-3-pyridinyl)-5-cyclopentyloxy-2-fluoro-4-methoxybenzamide
CID 22145902
4-fluoro-5-(4-formyl-4-hydroxycyclohexyl)oxy-2-methoxybenzoic acid
CID 170365424
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid?
The IUPAC name of 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid (CID 22145848) is 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid.
What is the SMILES notation for 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid?
The canonical SMILES for 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid is COc1cc(F)c(C(=O)O)cc1OC1CCCC1.
What is the InChIKey of 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid?
The InChIKey is FWKYGMQAMBXXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c1-17-11-7-10(14)9(13(15)16)6-12(11)18-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid?
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid has a molecular weight of 254.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid is sourced from PubChem (CID 22145848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).