3-naphthalen-1-ylpent-4-yn-1-ol

C15H14O — CID 141253512

IUPAC3-naphthalen-1-ylpent-4-yn-1-ol
SMILESC#CC(CCO)c1cccc2ccccc12
InChIInChI=1S/C15H14O/c1-2-12(10-11-16)14-9-5-7-13-6-3-4-8-15(13)14/h1,3-9,12,16H,10-11H2
InChIKeyNCQPDSSXLLCQCO-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.94
Rot. Bonds3

About 3-naphthalen-1-ylpent-4-yn-1-ol

3-naphthalen-1-ylpent-4-yn-1-ol (PubChem CID 141253512) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-naphthalen-1-ylpent-4-yn-1-ol.

Molecular Properties

Compound Name3-naphthalen-1-ylpent-4-yn-1-ol
PubChem CID141253512
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name3-naphthalen-1-ylpent-4-yn-1-ol
SMILESC#CC(CCO)c1cccc2ccccc12
InChIInChI=1S/C15H14O/c1-2-12(10-11-16)14-9-5-7-13-6-3-4-8-15(13)14/h1,3-9,12,16H,10-11H2
InChIKeyNCQPDSSXLLCQCO-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-ylpent-4-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

Related Compounds

1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
CID 169444620
2-(1-naphthalen-1-ylprop-2-ynyl)benzamide
CID 175878898
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
1-(1-phenylhex-1-yn-3-yl)naphthalene
CID 135008938
2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan
CID 101206946
2-naphthalen-1-ylhexan-1-ol
CID 57029231

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpent-4-yn-1-ol?
The IUPAC name of 3-naphthalen-1-ylpent-4-yn-1-ol (CID 141253512) is 3-naphthalen-1-ylpent-4-yn-1-ol.
What is the SMILES notation for 3-naphthalen-1-ylpent-4-yn-1-ol?
The canonical SMILES for 3-naphthalen-1-ylpent-4-yn-1-ol is C#CC(CCO)c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylpent-4-yn-1-ol?
The InChIKey is NCQPDSSXLLCQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-12(10-11-16)14-9-5-7-13-6-3-4-8-15(13)14/h1,3-9,12,16H,10-11H2.
What are the key properties of 3-naphthalen-1-ylpent-4-yn-1-ol?
3-naphthalen-1-ylpent-4-yn-1-ol has a molecular weight of 210.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpent-4-yn-1-ol is sourced from PubChem (CID 141253512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).