(1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol

C16H22O3 — CID 10869085

IUPAC(1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
SMILESC[C@H]1[C@@H](OCc2ccccc2)[C@H](C)[C@H]2C[C@H](O)[C@@H]1O2
InChIInChI=1S/C16H22O3/c1-10-14-8-13(17)16(19-14)11(2)15(10)18-9-12-6-4-3-5-7-12/h3-7,10-11,13-17H,8-9H2,1-2H3/t10-,11+,13+,14-,15+,16-/m1/s1
InChIKeyNGZCIIGSNOAORM-CDMIGPTGSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds3

About (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol

(1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol (PubChem CID 10869085) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name(1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
PubChem CID10869085
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
SMILESC[C@H]1[C@@H](OCc2ccccc2)[C@H](C)[C@H]2C[C@H](O)[C@@H]1O2
InChIInChI=1S/C16H22O3/c1-10-14-8-13(17)16(19-14)11(2)15(10)18-9-12-6-4-3-5-7-12/h3-7,10-11,13-17H,8-9H2,1-2H3/t10-,11+,13+,14-,15+,16-/m1/s1
InChIKeyNGZCIIGSNOAORM-CDMIGPTGSA-N
XLogP2.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol with MolForge

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Related Compounds

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CID 58078794
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(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(1R,2S,4S)-2,4-dimethyl-3,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 118000060
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CID 46210993
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CID 101371356
(1S,2R,4S,6R)-2-methyl-4-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptane
CID 101187707
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 10042151
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(1S,2R,3R,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10025814
(1S,3R,4S)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 70901451

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol?
The IUPAC name of (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol (CID 10869085) is (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol is C[C@H]1[C@@H](OCc2ccccc2)[C@H](C)[C@H]2C[C@H](O)[C@@H]1O2.
What is the InChIKey of (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol?
The InChIKey is NGZCIIGSNOAORM-CDMIGPTGSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-14-8-13(17)16(19-14)11(2)15(10)18-9-12-6-4-3-5-7-12/h3-7,10-11,13-17H,8-9H2,1-2H3/t10-,11+,13+,14-,15+,16-/m1/s1.
What are the key properties of (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol?
(1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol has a molecular weight of 262.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 10869085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).