2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid

C15H20O3 — CID 114989996

IUPAC2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1OCCCc1ccccc1
InChIInChI=1S/C15H20O3/c16-15(17)13-9-4-10-14(13)18-11-5-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)
InChIKeyCFAQHUYNGPLIFR-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.89
Rot. Bonds6

About 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid

2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid (PubChem CID 114989996) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
PubChem CID114989996
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1OCCCc1ccccc1
InChIInChI=1S/C15H20O3/c16-15(17)13-9-4-10-14(13)18-11-5-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)
InChIKeyCFAQHUYNGPLIFR-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid (CID 114989996) is 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1OCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid?
The InChIKey is CFAQHUYNGPLIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-15(17)13-9-4-10-14(13)18-11-5-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17).
What are the key properties of 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid?
2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114989996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).