1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol

C16H18O — CID 102147005

IUPAC1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol
SMILESC#CC1(O)CCCCC1C(=C)c1ccccc1
InChIInChI=1S/C16H18O/c1-3-16(17)12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h1,4-6,9-10,15,17H,2,7-8,11-12H2
InChIKeyHKWXITWFGPUKTB-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.25
Rot. Bonds2

About 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol

1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol (PubChem CID 102147005) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol
PubChem CID102147005
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol
SMILESC#CC1(O)CCCCC1C(=C)c1ccccc1
InChIInChI=1S/C16H18O/c1-3-16(17)12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h1,4-6,9-10,15,17H,2,7-8,11-12H2
InChIKeyHKWXITWFGPUKTB-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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

trans-(1R,2R)-1-ethynyl-2-phenylcyclobutan-1-ol
CID 11958011
phenyl(spiro[3.5]nonan-9-yl)methanone
CID 101482712
trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol
CID 101024510
1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
CID 165347800
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408
2-benzoyl-2-methylcyclohexane-1-carboxylic acid
CID 13054540
2-benzoyl-1-methylcyclohexane-1-carboxylic acid
CID 13054541
cis-(1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
CID 14915548
cyclopentyl(phenyl)methanethione
CID 91757146
trans-(1S,2R)-1-ethenyl-2-[3-[(E)-3-phenylbut-2-enoxy]prop-1-en-2-yl]cyclohexan-1-ol
CID 12015876
(3S,4R)-4-ethynyl-3-(1-phenylethenyl)-3,4-dihydro-2H-thiochromene
CID 102473499
4-[(1S,2R)-2-benzoyl-2-hydroxycyclohexanecarbonyl]oxybutyl 2-benzoyl-2-hydroxycyclohexane-1-carboxylate
CID 68592654

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol?
The IUPAC name of 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol (CID 102147005) is 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol?
The canonical SMILES for 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol is C#CC1(O)CCCCC1C(=C)c1ccccc1.
What is the InChIKey of 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol?
The InChIKey is HKWXITWFGPUKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-3-16(17)12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h1,4-6,9-10,15,17H,2,7-8,11-12H2.
What are the key properties of 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol?
1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol is sourced from PubChem (CID 102147005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).