2-[(6R)-6-phenyloxan-2-yl]propan-2-ol

C14H20O2 — CID 102038459

IUPAC2-[(6R)-6-phenyloxan-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCC[C@H](c2ccccc2)O1
InChIInChI=1S/C14H20O2/c1-14(2,15)13-10-6-9-12(16-13)11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,6,9-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyJRKZLVOVKCLDSJ-PZORYLMUSA-N
MW220.31 g/mol
LogP3.07
Rot. Bonds2

About 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol

2-[(6R)-6-phenyloxan-2-yl]propan-2-ol (PubChem CID 102038459) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(6R)-6-phenyloxan-2-yl]propan-2-ol
PubChem CID102038459
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(6R)-6-phenyloxan-2-yl]propan-2-ol
SMILESCC(C)(O)C1CCC[C@H](c2ccccc2)O1
InChIInChI=1S/C14H20O2/c1-14(2,15)13-10-6-9-12(16-13)11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,6,9-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyJRKZLVOVKCLDSJ-PZORYLMUSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R,5S)-5-phenyloxolan-2-yl]propan-2-ol
CID 11117220
(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane
CID 102038461
(2R,6R)-2-phenyl-6-prop-1-en-2-yloxane
CID 25232129
6-(2-hydroxypropan-2-yl)oxan-2-ol
CID 175813988
1-phenyl-2-[(2R,6S)-6-phenyloxan-2-yl]ethanone
CID 132849136
1-phenyl-2-(6-phenyloxan-2-yl)ethanone
CID 102133371
(2R,6S)-6-phenyloxane-2-carbonitrile
CID 58035350
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
CID 102315759
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol?
The IUPAC name of 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol (CID 102038459) is 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol is CC(C)(O)C1CCC[C@H](c2ccccc2)O1.
What is the InChIKey of 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol?
The InChIKey is JRKZLVOVKCLDSJ-PZORYLMUSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,15)13-10-6-9-12(16-13)11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,6,9-10H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol?
2-[(6R)-6-phenyloxan-2-yl]propan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-phenyloxan-2-yl]propan-2-ol is sourced from PubChem (CID 102038459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).