phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol

C18H20O2 — CID 102280064

IUPACphenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol
SMILESOC(c1ccccc1)[C@H]1CC[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H20O2/c19-18(15-9-5-2-6-10-15)17-12-11-16(13-20-17)14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17+,18?/m0/s1
InChIKeyLKDKWRYMMGOLNK-MYFVLZFPSA-N
MW268.36 g/mol
LogP3.68
Rot. Bonds3

About phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol

phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol (PubChem CID 102280064) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol.

Molecular Properties

Compound Namephenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol
PubChem CID102280064
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Namephenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol
SMILESOC(c1ccccc1)[C@H]1CC[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H20O2/c19-18(15-9-5-2-6-10-15)17-12-11-16(13-20-17)14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17+,18?/m0/s1
InChIKeyLKDKWRYMMGOLNK-MYFVLZFPSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol?
The IUPAC name of phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol (CID 102280064) is phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol.
What is the SMILES notation for phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol?
The canonical SMILES for phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol is OC(c1ccccc1)[C@H]1CC[C@H](c2ccccc2)CO1.
What is the InChIKey of phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol?
The InChIKey is LKDKWRYMMGOLNK-MYFVLZFPSA-N. The full InChI is InChI=1S/C18H20O2/c19-18(15-9-5-2-6-10-15)17-12-11-16(13-20-17)14-7-3-1-4-8-14/h1-10,16-19H,11-13H2/t16-,17+,18?/m0/s1.
What are the key properties of phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol?
phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol has a molecular weight of 268.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2R,5R)-5-phenyloxan-2-yl]methanol is sourced from PubChem (CID 102280064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).