[(1S)-2-phenylcyclohexyl] acetate

C14H18O2 — CID 130428408

IUPAC[(1S)-2-phenylcyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCCC1c1ccccc1
InChIInChI=1S/C14H18O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t13?,14-/m0/s1
InChIKeyOCJKSUSNMXDOGL-KZUDCZAMSA-N
MW218.30 g/mol
LogP3.28
Rot. Bonds2

About [(1S)-2-phenylcyclohexyl] acetate

[(1S)-2-phenylcyclohexyl] acetate (PubChem CID 130428408) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [(1S)-2-phenylcyclohexyl] acetate.

Molecular Properties

Compound Name[(1S)-2-phenylcyclohexyl] acetate
PubChem CID130428408
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[(1S)-2-phenylcyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCCC1c1ccccc1
InChIInChI=1S/C14H18O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t13?,14-/m0/s1
InChIKeyOCJKSUSNMXDOGL-KZUDCZAMSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294
[(1R,2S)-2-phenylcyclohexyl] N-[[(1R,2S)-2-phenylcyclohexyl]oxycarbonylamino]carbamate
CID 134883244
(2-phenylcyclohexyl) 2-oxoacetate
CID 13498606
[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate
CID 57192072
[(2S)-2-phenylcyclohexyl] 3-phenylprop-2-ynoate
CID 2755291
[(3R,4R)-4-phenylpiperidin-3-yl] acetate
CID 59674879
(2-phenylcyclohexyl) 3-phenylprop-2-ynoate
CID 15189887
[(1R,2S)-2-(4-butoxyphenyl)cyclohexyl] acetate
CID 15234651
(1R,2R,3R,4R)-2-methyl-4-phenyl-3-[(1S,2R)-2-phenylcyclohexyl]oxycarbonylcyclobutane-1-carboxylic acid
CID 130428279
[2-[4-(cyclohexylmethoxy)phenyl]cyclohexyl] acetate
CID 139617619
[(3S,4R,5R)-5-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl] acetate
CID 11878394
3-O-tert-butyl 2-O-[(1R,2S)-2-phenylcyclohexyl] (1R,2S,3R,4S)-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 11825750

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-phenylcyclohexyl] acetate?
The IUPAC name of [(1S)-2-phenylcyclohexyl] acetate (CID 130428408) is [(1S)-2-phenylcyclohexyl] acetate.
What is the SMILES notation for [(1S)-2-phenylcyclohexyl] acetate?
The canonical SMILES for [(1S)-2-phenylcyclohexyl] acetate is CC(=O)O[C@H]1CCCCC1c1ccccc1.
What is the InChIKey of [(1S)-2-phenylcyclohexyl] acetate?
The InChIKey is OCJKSUSNMXDOGL-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3/t13?,14-/m0/s1.
What are the key properties of [(1S)-2-phenylcyclohexyl] acetate?
[(1S)-2-phenylcyclohexyl] acetate has a molecular weight of 218.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-phenylcyclohexyl] acetate is sourced from PubChem (CID 130428408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).