3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid

C14H16O4 — CID 82161370

IUPAC3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
SMILESO=C(O)C(=O)Cc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H16O4/c15-13(14(16)17)9-10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,17)
InChIKeyVOKUBGDSJKICDA-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.20
Rot. Bonds5

About 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid

3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid (PubChem CID 82161370) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
PubChem CID82161370
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
SMILESO=C(O)C(=O)Cc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H16O4/c15-13(14(16)17)9-10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,17)
InChIKeyVOKUBGDSJKICDA-UHFFFAOYSA-N
XLogP2.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
CID 24704646
2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
CID 98017404
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
CID 115495273
methyl (E)-2-[(4-cyclopentyloxyphenyl)methyl]-3,4-dimethylpent-2-enoate
CID 159801557
1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
CID 115495306
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
3-(4-cyclopentyloxyphenyl)propanehydrazide
CID 164513639
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid (CID 82161370) is 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid is O=C(O)C(=O)Cc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid?
The InChIKey is VOKUBGDSJKICDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-13(14(16)17)9-10-5-7-12(8-6-10)18-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,17).
What are the key properties of 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid?
3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid has a molecular weight of 248.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid is sourced from PubChem (CID 82161370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).