[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate

C17H18O3 — CID 139064912

IUPAC[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate
SMILESO=C(O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccoc1
InChIInChI=1S/C17H18O3/c18-17(14-10-11-19-12-14)20-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-3,6-7,10-12,15-16H,4-5,8-9H2/t15-,16+/m0/s1
InChIKeyNMCAFLNCJZDUMQ-JKSUJKDBSA-N
MW270.33 g/mol
LogP4.16
Rot. Bonds3

About [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate

[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate (PubChem CID 139064912) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate.

Molecular Properties

Compound Name[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate
PubChem CID139064912
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate
SMILESO=C(O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccoc1
InChIInChI=1S/C17H18O3/c18-17(14-10-11-19-12-14)20-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-3,6-7,10-12,15-16H,4-5,8-9H2/t15-,16+/m0/s1
InChIKeyNMCAFLNCJZDUMQ-JKSUJKDBSA-N
XLogP4.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-naphthalen-1-ylcyclohexyl] furan-3-carboxylate
CID 139064911
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294
[(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
[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate
CID 102068633
(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate
CID 102068637
[(1S,2R,7R,8R,9R)-2-[(1R,2S)-2-phenylcyclohexyl]oxy-3,5-dioxa-4-azatricyclo[5.2.1.04,8]decan-9-yl] benzoate
CID 10717742
[(3R,4R)-4-phenyloxolan-3-yl] benzoate
CID 126600996

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate?
The IUPAC name of [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate (CID 139064912) is [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate.
What is the SMILES notation for [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate?
The canonical SMILES for [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate is O=C(O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccoc1.
What is the InChIKey of [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate?
The InChIKey is NMCAFLNCJZDUMQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18O3/c18-17(14-10-11-19-12-14)20-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-3,6-7,10-12,15-16H,4-5,8-9H2/t15-,16+/m0/s1.
What are the key properties of [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate?
[(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-phenylcyclohexyl] furan-3-carboxylate is sourced from PubChem (CID 139064912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).