trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol

C14H16O — CID 101375058

IUPACtrans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol
SMILESC[C@@H]1CCC[C@]1(O)C#Cc1ccccc1
InChIInChI=1S/C14H16O/c1-12-6-5-10-14(12,15)11-9-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,10H2,1H3/t12-,14+/m1/s1
InChIKeyDXRMLMZKGWTYSH-OCCSQVGLSA-N
MW200.28 g/mol
LogP2.59
Rot. Bonds

About trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol

trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol (PubChem CID 101375058) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol
PubChem CID101375058
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Nametrans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol
SMILESC[C@@H]1CCC[C@]1(O)C#Cc1ccccc1
InChIInChI=1S/C14H16O/c1-12-6-5-10-14(12,15)11-9-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,10H2,1H3/t12-,14+/m1/s1
InChIKeyDXRMLMZKGWTYSH-OCCSQVGLSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.59
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

2-(2-phenylethynyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 101451441
5-(2-phenylethynyl)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 141161058
trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
CID 134942107
(1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol
CID 146160788
(1S,4R)-2-(2-phenylethynyl)bicyclo[2.2.1]heptan-2-ol
CID 102212474
2-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethynyl)cyclooctan-1-ol
CID 24887223
ethyl 5-hydroxy-5-(2-phenylethynyl)-2,3,4,4a,6,7,8,8a-octahydroquinoline-1-carboxylate
CID 86597288
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
(1S,2S,4S,6R)-5,5,6-trimethyl-2-(2-phenylethynyl)bicyclo[2.2.1]heptan-2-ol
CID 6552056
4-[2-(3-methylphenyl)ethynyl]-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
CID 86597286
trimethyl-[[(2S,3R,4S,5S)-5-methyl-2-phenyl-4-(2-phenylethynyl)-1-oxaspiro[2.5]octan-4-yl]oxy]silane
CID 24899121
1,7-bis(2-phenylethynyl)tricyclo[4.1.0.02,7]heptane
CID 14662042

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol (CID 101375058) is trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol is C[C@@H]1CCC[C@]1(O)C#Cc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol?
The InChIKey is DXRMLMZKGWTYSH-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H16O/c1-12-6-5-10-14(12,15)11-9-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,10H2,1H3/t12-,14+/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol?
trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol is sourced from PubChem (CID 101375058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).