trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol

C15H20O2 — CID 101024510

IUPACtrans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol
SMILESC=C(C[C@]1(O)CCCC[C@@H]1O)c1ccccc1
InChIInChI=1S/C15H20O2/c1-12(13-7-3-2-4-8-13)11-15(17)10-6-5-9-14(15)16/h2-4,7-8,14,16-17H,1,5-6,9-11H2/t14-,15+/m0/s1
InChIKeyQTAVYSCEMRCPGT-LSDHHAIUSA-N
MW232.32 g/mol
LogP2.76
Rot. Bonds3

About trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol

trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol (PubChem CID 101024510) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol
PubChem CID101024510
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nametrans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol
SMILESC=C(C[C@]1(O)CCCC[C@@H]1O)c1ccccc1
InChIInChI=1S/C15H20O2/c1-12(13-7-3-2-4-8-13)11-15(17)10-6-5-9-14(15)16/h2-4,7-8,14,16-17H,1,5-6,9-11H2/t14-,15+/m0/s1
InChIKeyQTAVYSCEMRCPGT-LSDHHAIUSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol
CID 102094905
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol
CID 130991462
trans-(1S,2R)-2-(2-methylprop-2-enyl)-2-(2-phenylethynyl)cyclohexan-1-ol
CID 101359424
1-ethynyl-2-(1-phenylethenyl)cyclohexan-1-ol
CID 102147005
2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione
CID 10356191
1-propylcyclodecane-1,2-diol
CID 173377333
trans-(1S,2R)-1-ethenyl-2-[3-[(E)-3-phenylbut-2-enoxy]prop-1-en-2-yl]cyclohexan-1-ol
CID 12015876
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408
trans-(1S,2R)-2-(2,2-diphenylhydrazinyl)-1-pent-4-enylcyclohexan-1-ol
CID 10473101
N-(2-phenylprop-2-enyl)cyclopropanamine
CID 18333838

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol?
The IUPAC name of trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol (CID 101024510) is trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol.
What is the SMILES notation for trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol?
The canonical SMILES for trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol is C=C(C[C@]1(O)CCCC[C@@H]1O)c1ccccc1.
What is the InChIKey of trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol?
The InChIKey is QTAVYSCEMRCPGT-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H20O2/c1-12(13-7-3-2-4-8-13)11-15(17)10-6-5-9-14(15)16/h2-4,7-8,14,16-17H,1,5-6,9-11H2/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol?
trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol has a molecular weight of 232.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol is sourced from PubChem (CID 101024510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).