[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate

C19H26O4 — CID 56986167

IUPAC[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCC[C@@H]1c1cccc(OC2CCCCO2)c1
InChIInChI=1S/C19H26O4/c1-14(20)22-18-10-3-2-9-17(18)15-7-6-8-16(13-15)23-19-11-4-5-12-21-19/h6-8,13,17-19H,2-5,9-12H2,1H3/t17-,18+,19?/m1/s1
InChIKeyOSBBZWAFPIEAQY-YTYFACEESA-N
MW318.41 g/mol
LogP4.18
Rot. Bonds4

About [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate

[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate (PubChem CID 56986167) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate.

Molecular Properties

Compound Name[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate
PubChem CID56986167
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCC[C@@H]1c1cccc(OC2CCCCO2)c1
InChIInChI=1S/C19H26O4/c1-14(20)22-18-10-3-2-9-17(18)15-7-6-8-16(13-15)23-19-11-4-5-12-21-19/h6-8,13,17-19H,2-5,9-12H2,1H3/t17-,18+,19?/m1/s1
InChIKeyOSBBZWAFPIEAQY-YTYFACEESA-N
XLogP4.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2S)-2-[4-(oxan-2-yloxy)phenyl]cyclohexyl] propanoate
CID 54097033
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
2-(3-bromophenoxy)oxane
CID 5067264
4-[3-(oxan-2-yloxy)phenyl]benzamide
CID 139985514
(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
CID 97044046
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(E)-1-(4-chlorophenyl)-3-[3-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 139234406
oxan-2-yl 3-methylbenzoate
CID 139991124
[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate
CID 57192072
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
2-(3,4-dimethylphenoxy)oxane
CID 10987441
methyl 3,5-bis(oxan-2-yloxy)benzoate
CID 21305399

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate?
The IUPAC name of [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate (CID 56986167) is [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate.
What is the SMILES notation for [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate?
The canonical SMILES for [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate is CC(=O)O[C@H]1CCCC[C@@H]1c1cccc(OC2CCCCO2)c1.
What is the InChIKey of [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate?
The InChIKey is OSBBZWAFPIEAQY-YTYFACEESA-N. The full InChI is InChI=1S/C19H26O4/c1-14(20)22-18-10-3-2-9-17(18)15-7-6-8-16(13-15)23-19-11-4-5-12-21-19/h6-8,13,17-19H,2-5,9-12H2,1H3/t17-,18+,19?/m1/s1.
What are the key properties of [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate?
[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate has a molecular weight of 318.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate is sourced from PubChem (CID 56986167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).