2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid

C14H15ClO5 — CID 117481061

IUPAC2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1cc(C(=O)C(=O)O)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C14H15ClO5/c1-19-11-7-8(12(16)14(17)18)6-10(15)13(11)20-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,17,18)
InChIKeyRLAKRGFAGQFTDZ-UHFFFAOYSA-N
MW298.72 g/mol
LogP2.94
Rot. Bonds5

About 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid

2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid (PubChem CID 117481061) has the molecular formula C14H15ClO5 and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
PubChem CID117481061
Molecular FormulaC14H15ClO5
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1cc(C(=O)C(=O)O)cc(Cl)c1OC1CCCC1
InChIInChI=1S/C14H15ClO5/c1-19-11-7-8(12(16)14(17)18)6-10(15)13(11)20-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,17,18)
InChIKeyRLAKRGFAGQFTDZ-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

3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117481112
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
CID 158093078
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate
CID 117053281
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
CID 117388271
3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
CID 117476790
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid (CID 117481061) is 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid is COc1cc(C(=O)C(=O)O)cc(Cl)c1OC1CCCC1.
What is the InChIKey of 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid?
The InChIKey is RLAKRGFAGQFTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO5/c1-19-11-7-8(12(16)14(17)18)6-10(15)13(11)20-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid?
2-(3-chloro-4-cyclopentyloxy-5-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-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117481061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).