(2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol

C16H19BrO4S — CID 143128499

IUPAC(2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol
SMILESCO.OC[C@@H](O)COc1ccc(Sc2ccccc2)cc1Br
InChIInChI=1S/C15H15BrO3S.CH4O/c16-14-8-13(20-12-4-2-1-3-5-12)6-7-15(14)19-10-11(18)9-17;1-2/h1-8,11,17-18H,9-10H2;2H,1H3/t11-;/m1./s1
InChIKeyIBFBNAHRUZUFPN-RFVHGSKJSA-N
MW387.30 g/mol
LogP2.94
Rot. Bonds6

About (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol

(2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol (PubChem CID 143128499) has the molecular formula C16H19BrO4S and a molecular weight of 387.30 g/mol. Its IUPAC name is (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol.

Molecular Properties

Compound Name(2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol
PubChem CID143128499
Molecular FormulaC16H19BrO4S
Molecular Weight387.30 g/mol
Exact Mass386.02
IUPAC Name(2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol
SMILESCO.OC[C@@H](O)COc1ccc(Sc2ccccc2)cc1Br
InChIInChI=1S/C15H15BrO3S.CH4O/c16-14-8-13(20-12-4-2-1-3-5-12)6-7-15(14)19-10-11(18)9-17;1-2/h1-8,11,17-18H,9-10H2;2H,1H3/t11-;/m1./s1
InChIKeyIBFBNAHRUZUFPN-RFVHGSKJSA-N
XLogP2.94
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[3-chloro-4-(3-chloro-2-hydroxypropoxy)phenyl]sulfanylphenoxy]propane-1,2-diol
CID 145382592
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
3-(5-amino-2-bromophenoxy)propane-1,2-diol
CID 103008699
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol
CID 20607341
1-(2-bromo-4-phenylsulfanylphenyl)ethanone
CID 66885963

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol?
The IUPAC name of (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol (CID 143128499) is (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol.
What is the SMILES notation for (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol?
The canonical SMILES for (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol is CO.OC[C@@H](O)COc1ccc(Sc2ccccc2)cc1Br.
What is the InChIKey of (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol?
The InChIKey is IBFBNAHRUZUFPN-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H15BrO3S.CH4O/c16-14-8-13(20-12-4-2-1-3-5-12)6-7-15(14)19-10-11(18)9-17;1-2/h1-8,11,17-18H,9-10H2;2H,1H3/t11-;/m1./s1.
What are the key properties of (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol?
(2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol has a molecular weight of 387.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-bromo-4-phenylsulfanylphenoxy)propane-1,2-diol;methanol is sourced from PubChem (CID 143128499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).