3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol

C15H18O2 — CID 54969852

IUPAC3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1COC1CCCC1
InChIInChI=1S/C15H18O2/c16-11-5-8-13-6-1-2-7-14(13)12-17-15-9-3-4-10-15/h1-2,6-7,15-16H,3-4,9-12H2
InChIKeyWDVAGKMPNXKWAB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds3

About 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol

3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol (PubChem CID 54969852) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
PubChem CID54969852
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1COC1CCCC1
InChIInChI=1S/C15H18O2/c16-11-5-8-13-6-1-2-7-14(13)12-17-15-9-3-4-10-15/h1-2,6-7,15-16H,3-4,9-12H2
InChIKeyWDVAGKMPNXKWAB-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol (CID 54969852) is 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol is OCC#Cc1ccccc1COC1CCCC1.
What is the InChIKey of 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is WDVAGKMPNXKWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-11-5-8-13-6-1-2-7-14(13)12-17-15-9-3-4-10-15/h1-2,6-7,15-16H,3-4,9-12H2.
What are the key properties of 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol?
3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54969852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).