2-(4-cyclopropyloxyphenyl)pentanoic acid

C14H18O3 — CID 114520015

IUPAC2-(4-cyclopropyloxyphenyl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C14H18O3/c1-2-3-13(14(15)16)10-4-6-11(7-5-10)17-12-8-9-12/h4-7,12-13H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyLVLSZGKFLZQWTF-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.20
Rot. Bonds6

About 2-(4-cyclopropyloxyphenyl)pentanoic acid

2-(4-cyclopropyloxyphenyl)pentanoic acid (PubChem CID 114520015) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(4-cyclopropyloxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-(4-cyclopropyloxyphenyl)pentanoic acid
PubChem CID114520015
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(4-cyclopropyloxyphenyl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C14H18O3/c1-2-3-13(14(15)16)10-4-6-11(7-5-10)17-12-8-9-12/h4-7,12-13H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyLVLSZGKFLZQWTF-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
CID 117376397
1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one
CID 103454073
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
CID 115812788
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571979
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid
CID 82480584
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 114519795
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxyphenyl)pentanoic acid?
The IUPAC name of 2-(4-cyclopropyloxyphenyl)pentanoic acid (CID 114520015) is 2-(4-cyclopropyloxyphenyl)pentanoic acid.
What is the SMILES notation for 2-(4-cyclopropyloxyphenyl)pentanoic acid?
The canonical SMILES for 2-(4-cyclopropyloxyphenyl)pentanoic acid is CCCC(C(=O)O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropyloxyphenyl)pentanoic acid?
The InChIKey is LVLSZGKFLZQWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-3-13(14(15)16)10-4-6-11(7-5-10)17-12-8-9-12/h4-7,12-13H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-cyclopropyloxyphenyl)pentanoic acid?
2-(4-cyclopropyloxyphenyl)pentanoic acid has a molecular weight of 234.29 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyloxyphenyl)pentanoic acid is sourced from PubChem (CID 114520015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).