1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol

C16H18O — CID 12734633

IUPAC1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol
SMILESOC(C#Cc1ccccc1)CC1C=CCCC1
InChIInChI=1S/C16H18O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1,3-5,7-9,15-17H,2,6,10,13H2
InChIKeyOCCLLWDPLSNZIS-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.15
Rot. Bonds2

About 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol

1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol (PubChem CID 12734633) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol
PubChem CID12734633
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol
SMILESOC(C#Cc1ccccc1)CC1C=CCCC1
InChIInChI=1S/C16H18O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1,3-5,7-9,15-17H,2,6,10,13H2
InChIKeyOCCLLWDPLSNZIS-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylethanol
CID 6054
Benzenepropanol
CID 31234
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523
1-Phenyl-2-pentanol
CID 61202
2-Phenylcyclohexanol
CID 15046
Phenylisohexanol
CID 108312
1-Phenyl-2-propanol
CID 94185
Benzenebutanol
CID 76889
alpha-Ethynylbenzenemethanol
CID 20155
1-Phenyl-2-butanol
CID 92833

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol?
The IUPAC name of 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol (CID 12734633) is 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol?
The canonical SMILES for 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol is OC(C#Cc1ccccc1)CC1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol?
The InChIKey is OCCLLWDPLSNZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1,3-5,7-9,15-17H,2,6,10,13H2.
What are the key properties of 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol?
1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol has a molecular weight of 226.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-4-phenylbut-3-yn-2-ol is sourced from PubChem (CID 12734633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).