[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol

C13H10BrClOS — CID 114062107

IUPAC[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol
SMILESOCc1cc(Br)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H10BrClOS/c14-10-4-5-13(9(6-10)8-16)17-12-3-1-2-11(15)7-12/h1-7,16H,8H2
InChIKeyYVZFVJBVDYLUOM-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.75
Rot. Bonds3

About [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol

[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol (PubChem CID 114062107) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol
PubChem CID114062107
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol
SMILESOCc1cc(Br)ccc1Sc1cccc(Cl)c1
InChIInChI=1S/C13H10BrClOS/c14-10-4-5-13(9(6-10)8-16)17-12-3-1-2-11(15)7-12/h1-7,16H,8H2
InChIKeyYVZFVJBVDYLUOM-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 114062105
[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
CID 63807558
4-bromo-2-(3-chlorophenyl)sulfanylbenzaldehyde
CID 55238384
2-[[2-(3-chlorophenyl)sulfanylphenyl]methylamino]-6-(hydroxymethyl)phenol
CID 69008982
1-[2-(3-bromophenyl)sulfanyl-5-chlorophenyl]butan-2-amine
CID 114866330
4-bromo-1-[(3-chlorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 63458635
[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
CID 63674010
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol
CID 114865485
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol?
The IUPAC name of [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol (CID 114062107) is [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol is OCc1cc(Br)ccc1Sc1cccc(Cl)c1.
What is the InChIKey of [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol?
The InChIKey is YVZFVJBVDYLUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c14-10-4-5-13(9(6-10)8-16)17-12-3-1-2-11(15)7-12/h1-7,16H,8H2.
What are the key properties of [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol?
[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol has a molecular weight of 329.65 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 114062107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).