6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol

C26H32O — CID 102321879

IUPAC6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol
SMILESOC(CCc1ccccc1)C(C#CC1CCCCC1)CCc1ccccc1
InChIInChI=1S/C26H32O/c27-26(21-18-24-14-8-3-9-15-24)25(19-16-22-10-4-1-5-11-22)20-17-23-12-6-2-7-13-23/h1,3-5,8-11,14-15,23,25-27H,2,6-7,12-13,16,18-19,21H2
InChIKeyBJLRGRDFHZOUAT-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.81
Rot. Bonds7

About 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol

6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol (PubChem CID 102321879) has the molecular formula C26H32O and a molecular weight of 360.54 g/mol. Its IUPAC name is 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol.

Molecular Properties

Compound Name6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol
PubChem CID102321879
Molecular FormulaC26H32O
Molecular Weight360.54 g/mol
Exact Mass360.25
IUPAC Name6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol
SMILESOC(CCc1ccccc1)C(C#CC1CCCCC1)CCc1ccccc1
InChIInChI=1S/C26H32O/c27-26(21-18-24-14-8-3-9-15-24)25(19-16-22-10-4-1-5-11-22)20-17-23-12-6-2-7-13-23/h1,3-5,8-11,14-15,23,25-27H,2,6-7,12-13,16,18-19,21H2
InChIKeyBJLRGRDFHZOUAT-UHFFFAOYSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.81
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

4-(2-cyclohexylethynyl)-6-methyl-1-phenylheptan-3-ol
CID 102088991
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(1R,5R)-1-cyclohexyl-7-phenylheptane-1,5-diol
CID 46914940
3,3-dicyclohexylpropylbenzene
CID 86671113
3-cyclohexyl-6-phenylhex-1-ene-3,4-diol
CID 85416610
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol
CID 101070884
(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
CID 10263265
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol?
The IUPAC name of 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol (CID 102321879) is 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol.
What is the SMILES notation for 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol?
The canonical SMILES for 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol is OC(CCc1ccccc1)C(C#CC1CCCCC1)CCc1ccccc1.
What is the InChIKey of 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol?
The InChIKey is BJLRGRDFHZOUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O/c27-26(21-18-24-14-8-3-9-15-24)25(19-16-22-10-4-1-5-11-22)20-17-23-12-6-2-7-13-23/h1,3-5,8-11,14-15,23,25-27H,2,6-7,12-13,16,18-19,21H2.
What are the key properties of 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol?
6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol has a molecular weight of 360.54 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol is sourced from PubChem (CID 102321879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).