(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol

C17H17BrO2 — CID 101086395

IUPAC(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
SMILESO[C@H]1C[C@@H](c2ccc(Br)cc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H17BrO2/c18-14-8-6-13(7-9-14)17-11-15(19)10-16(20-17)12-4-2-1-3-5-12/h1-9,15-17,19H,10-11H2/t15-,16-,17+/m1/s1
InChIKeyXNLOURZPCYGMQZ-ZACQAIPSSA-N
MW333.23 g/mol
LogP4.40
Rot. Bonds2

About (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol

(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol (PubChem CID 101086395) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
PubChem CID101086395
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
SMILESO[C@H]1C[C@@H](c2ccc(Br)cc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H17BrO2/c18-14-8-6-13(7-9-14)17-11-15(19)10-16(20-17)12-4-2-1-3-5-12/h1-9,15-17,19H,10-11H2/t15-,16-,17+/m1/s1
InChIKeyXNLOURZPCYGMQZ-ZACQAIPSSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol
CID 23253721
(E)-1-(4-bromophenyl)-3-[4-[6-(4-bromophenyl)-4-hydroxyoxan-2-yl]phenyl]prop-2-en-1-one
CID 139234445
(2S,4S)-2-phenyloxan-4-ol
CID 67658519
2-(4-bromophenyl)-3-methyl-6-phenylmorpholine
CID 43438861
3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
CID 130149634
(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
CID 131086080
[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
5-phenylcyclohexane-1,3-diol
CID 14135723

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol?
The IUPAC name of (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol (CID 101086395) is (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol?
The canonical SMILES for (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol is O[C@H]1C[C@@H](c2ccc(Br)cc2)O[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol?
The InChIKey is XNLOURZPCYGMQZ-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H17BrO2/c18-14-8-6-13(7-9-14)17-11-15(19)10-16(20-17)12-4-2-1-3-5-12/h1-9,15-17,19H,10-11H2/t15-,16-,17+/m1/s1.
What are the key properties of (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol?
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol has a molecular weight of 333.23 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol is sourced from PubChem (CID 101086395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).