1-(1-phenylcyclopentyl)pent-4-yn-1-ol

C16H20O — CID 63657672

IUPAC1-(1-phenylcyclopentyl)pent-4-yn-1-ol
SMILESC#CCCC(O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C16H20O/c1-2-3-11-15(17)16(12-7-8-13-16)14-9-5-4-6-10-14/h1,4-6,9-10,15,17H,3,7-8,11-13H2
InChIKeyXSZKCWOEYZBNCF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.27
Rot. Bonds4

About 1-(1-phenylcyclopentyl)pent-4-yn-1-ol

1-(1-phenylcyclopentyl)pent-4-yn-1-ol (PubChem CID 63657672) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(1-phenylcyclopentyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(1-phenylcyclopentyl)pent-4-yn-1-ol
PubChem CID63657672
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-(1-phenylcyclopentyl)pent-4-yn-1-ol
SMILESC#CCCC(O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C16H20O/c1-2-3-11-15(17)16(12-7-8-13-16)14-9-5-4-6-10-14/h1,4-6,9-10,15,17H,3,7-8,11-13H2
InChIKeyXSZKCWOEYZBNCF-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.27
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-(1-phenylcyclopentyl)hex-4-yn-1-ol
CID 104803772
1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170
3-phenyl-1-(1-phenylcyclobutyl)propan-1-ol
CID 63078442
2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
1-(1-phenylcyclopropyl)pent-4-ynylhydrazine
CID 105217111
1-(1-phenylcyclobutyl)hex-5-ynylhydrazine
CID 105217339
1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol
CID 114992024
2-(4-methylphenyl)-1-(1-phenylcyclopentyl)ethanol
CID 63414353
(1S)-1-phenylpent-4-yn-1-ol
CID 174532036
5-but-3-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63656307
4,4,4-trifluoro-1-(4-phenyloxan-4-yl)butan-1-ol
CID 64566548
4-ethylsulfonyl-1-(1-phenylcyclopropyl)butan-1-ol
CID 65095235

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopentyl)pent-4-yn-1-ol?
The IUPAC name of 1-(1-phenylcyclopentyl)pent-4-yn-1-ol (CID 63657672) is 1-(1-phenylcyclopentyl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(1-phenylcyclopentyl)pent-4-yn-1-ol?
The canonical SMILES for 1-(1-phenylcyclopentyl)pent-4-yn-1-ol is C#CCCC(O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-(1-phenylcyclopentyl)pent-4-yn-1-ol?
The InChIKey is XSZKCWOEYZBNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-3-11-15(17)16(12-7-8-13-16)14-9-5-4-6-10-14/h1,4-6,9-10,15,17H,3,7-8,11-13H2.
What are the key properties of 1-(1-phenylcyclopentyl)pent-4-yn-1-ol?
1-(1-phenylcyclopentyl)pent-4-yn-1-ol has a molecular weight of 228.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopentyl)pent-4-yn-1-ol is sourced from PubChem (CID 63657672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).