2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid

C14H15ClO5 — CID 117481112

IUPAC2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1ccc(Cl)c(C(=O)C(=O)O)c1OC1CCCC1
InChIInChI=1S/C14H15ClO5/c1-19-10-7-6-9(15)11(12(16)14(17)18)13(10)20-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyMSOLEGVBUQPTMV-UHFFFAOYSA-N
MW298.72 g/mol
LogP2.94
Rot. Bonds5

About 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid

2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid (PubChem CID 117481112) has the molecular formula C14H15ClO5 and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
PubChem CID117481112
Molecular FormulaC14H15ClO5
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1ccc(Cl)c(C(=O)C(=O)O)c1OC1CCCC1
InChIInChI=1S/C14H15ClO5/c1-19-10-7-6-9(15)11(12(16)14(17)18)13(10)20-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,17,18)
InChIKeyMSOLEGVBUQPTMV-UHFFFAOYSA-N
XLogP2.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-oxoacetic acid
CID 117458185
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-N-methylethanamine
CID 117456580
2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 117460411
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494434
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
8-cyclopentyloxy-7-methoxy-1H-quinolin-4-one
CID 69020600
methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
CID 66781747
3-cyclopentyloxy-2-fluoro-4-methoxyphenol
CID 125116751

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid (CID 117481112) is 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid is COc1ccc(Cl)c(C(=O)C(=O)O)c1OC1CCCC1.
What is the InChIKey of 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid?
The InChIKey is MSOLEGVBUQPTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO5/c1-19-10-7-6-9(15)11(12(16)14(17)18)13(10)20-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid?
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid has a molecular weight of 298.72 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117481112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).