[(1R,2S)-2-phenylcyclohexyl] carbonochloridate

C13H15ClO2 — CID 15691294

IUPAC[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
SMILESO=C(Cl)O[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C13H15ClO2/c14-13(15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12+/m0/s1
InChIKeyYHSJXFDZMQPYCU-NWDGAFQWSA-N
MW238.71 g/mol
LogP4.09
Rot. Bonds2

About [(1R,2S)-2-phenylcyclohexyl] carbonochloridate

[(1R,2S)-2-phenylcyclohexyl] carbonochloridate (PubChem CID 15691294) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is [(1R,2S)-2-phenylcyclohexyl] carbonochloridate.

Molecular Properties

Compound Name[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
PubChem CID15691294
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
SMILESO=C(Cl)O[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C13H15ClO2/c14-13(15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12+/m0/s1
InChIKeyYHSJXFDZMQPYCU-NWDGAFQWSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[(1R,2S)-2-phenylcyclohexyl] N-[[(1R,2S)-2-phenylcyclohexyl]oxycarbonylamino]carbamate
CID 134883244
(2-phenylcyclohexyl) 2-oxoacetate
CID 13498606
[(2S)-2-phenylcyclohexyl] 3-phenylprop-2-ynoate
CID 2755291
(2-phenylcyclohexyl) 3-phenylprop-2-ynoate
CID 15189887
[(1R,2S)-2-buta-1,3-dien-2-yloxycyclohexyl]benzene
CID 102426491
[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate
CID 139064912
trans-[(1R,2S)-2-phenylcyclohexyl] (1S,2S)-2-tris(trimethylsilyl)silyloxycyclobutane-1-carboxylate
CID 11179951
(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate
CID 102068633
[(1R,2S)-2-phenylcyclohexyl]oxyphosphinite
CID 102484366
(2-phenylcyclohexyl) formate
CID 87286934
(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate
CID 102068637

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-phenylcyclohexyl] carbonochloridate?
The IUPAC name of [(1R,2S)-2-phenylcyclohexyl] carbonochloridate (CID 15691294) is [(1R,2S)-2-phenylcyclohexyl] carbonochloridate.
What is the SMILES notation for [(1R,2S)-2-phenylcyclohexyl] carbonochloridate?
The canonical SMILES for [(1R,2S)-2-phenylcyclohexyl] carbonochloridate is O=C(Cl)O[C@@H]1CCCC[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2S)-2-phenylcyclohexyl] carbonochloridate?
The InChIKey is YHSJXFDZMQPYCU-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-13(15)16-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12+/m0/s1.
What are the key properties of [(1R,2S)-2-phenylcyclohexyl] carbonochloridate?
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate has a molecular weight of 238.71 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-phenylcyclohexyl] carbonochloridate is sourced from PubChem (CID 15691294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).