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

C17H22O — CID 104803772

IUPAC1-(1-phenylcyclopentyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H22O/c1-2-3-5-12-16(18)17(13-8-9-14-17)15-10-6-4-7-11-15/h4,6-7,10-11,16,18H,5,8-9,12-14H2,1H3
InChIKeyOXBOHJNSHQUMSH-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.66
Rot. Bonds4

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

1-(1-phenylcyclopentyl)hex-4-yn-1-ol (PubChem CID 104803772) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-phenylcyclopentyl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(1-phenylcyclopentyl)hex-4-yn-1-ol
PubChem CID104803772
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(1-phenylcyclopentyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H22O/c1-2-3-5-12-16(18)17(13-8-9-14-17)15-10-6-4-7-11-15/h4,6-7,10-11,16,18H,5,8-9,12-14H2,1H3
InChIKeyOXBOHJNSHQUMSH-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopentyl)hex-4-yn-1-ol?
The IUPAC name of 1-(1-phenylcyclopentyl)hex-4-yn-1-ol (CID 104803772) is 1-(1-phenylcyclopentyl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(1-phenylcyclopentyl)hex-4-yn-1-ol?
The canonical SMILES for 1-(1-phenylcyclopentyl)hex-4-yn-1-ol is CC#CCCC(O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-(1-phenylcyclopentyl)hex-4-yn-1-ol?
The InChIKey is OXBOHJNSHQUMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-2-3-5-12-16(18)17(13-8-9-14-17)15-10-6-4-7-11-15/h4,6-7,10-11,16,18H,5,8-9,12-14H2,1H3.
What are the key properties of 1-(1-phenylcyclopentyl)hex-4-yn-1-ol?
1-(1-phenylcyclopentyl)hex-4-yn-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopentyl)hex-4-yn-1-ol is sourced from PubChem (CID 104803772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).