1-cyclopentyl-1-phenylpent-2-yn-1-ol

C16H20O — CID 59644486

IUPAC1-cyclopentyl-1-phenylpent-2-yn-1-ol
SMILESCCC#CC(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H20O/c1-2-3-13-16(17,15-11-7-8-12-15)14-9-5-4-6-10-14/h4-6,9-10,15,17H,2,7-8,11-12H2,1H3
InChIKeyHSEXHIHPGPEDNS-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.48
Rot. Bonds2

About 1-cyclopentyl-1-phenylpent-2-yn-1-ol

1-cyclopentyl-1-phenylpent-2-yn-1-ol (PubChem CID 59644486) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclopentyl-1-phenylpent-2-yn-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-1-phenylpent-2-yn-1-ol
PubChem CID59644486
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-cyclopentyl-1-phenylpent-2-yn-1-ol
SMILESCCC#CC(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H20O/c1-2-3-13-16(17,15-11-7-8-12-15)14-9-5-4-6-10-14/h4-6,9-10,15,17H,2,7-8,11-12H2,1H3
InChIKeyHSEXHIHPGPEDNS-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol
CID 21148178
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 750153
[(4R)-4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl]-ethyl-methyl-propan-2-ylazanium
CID 6996794
1-cyclohexyl-5-(diethylamino)-1-phenylpent-2-yn-1-ol;iodomethane
CID 126477733
4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol
CID 3510563
1-cyclohexyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 24837075
(4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-bis(2-hydroxyethyl)azanium
CID 3305805
4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
CID 2915878
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-2-yn-1-ol
CID 2835413
1,1-diphenylpent-2-yn-1-ol
CID 155311786
(1S)-1-cyclohexyl-4-morpholin-4-ium-4-yl-1-phenylbut-2-yn-1-ol
CID 7332936
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-phenylpent-2-yn-1-ol?
The IUPAC name of 1-cyclopentyl-1-phenylpent-2-yn-1-ol (CID 59644486) is 1-cyclopentyl-1-phenylpent-2-yn-1-ol.
What is the SMILES notation for 1-cyclopentyl-1-phenylpent-2-yn-1-ol?
The canonical SMILES for 1-cyclopentyl-1-phenylpent-2-yn-1-ol is CCC#CC(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-phenylpent-2-yn-1-ol?
The InChIKey is HSEXHIHPGPEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-3-13-16(17,15-11-7-8-12-15)14-9-5-4-6-10-14/h4-6,9-10,15,17H,2,7-8,11-12H2,1H3.
What are the key properties of 1-cyclopentyl-1-phenylpent-2-yn-1-ol?
1-cyclopentyl-1-phenylpent-2-yn-1-ol has a molecular weight of 228.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-phenylpent-2-yn-1-ol is sourced from PubChem (CID 59644486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).