[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol

C13H10BrFOS — CID 55237943

IUPAC[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol
SMILESOCc1ccc(Br)cc1Sc1ccccc1F
InChIInChI=1S/C13H10BrFOS/c14-10-6-5-9(8-16)13(7-10)17-12-4-2-1-3-11(12)15/h1-7,16H,8H2
InChIKeyWIVYVPPGCQRWMG-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.23
Rot. Bonds3

About [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol

[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol (PubChem CID 55237943) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol
PubChem CID55237943
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol
SMILESOCc1ccc(Br)cc1Sc1ccccc1F
InChIInChI=1S/C13H10BrFOS/c14-10-6-5-9(8-16)13(7-10)17-12-4-2-1-3-11(12)15/h1-7,16H,8H2
InChIKeyWIVYVPPGCQRWMG-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
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[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
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[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613188
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]aniline
CID 43438726
[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol
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1-[4-bromo-2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809929
[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 114062105
[2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63812967
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
4-bromo-2-methylsulfanylbenzaldehyde;(4-bromo-2-methylsulfanylphenyl)methanol
CID 158377147
[5-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanol
CID 89437129
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol?
The IUPAC name of [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol (CID 55237943) is [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol is OCc1ccc(Br)cc1Sc1ccccc1F.
What is the InChIKey of [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol?
The InChIKey is WIVYVPPGCQRWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c14-10-6-5-9(8-16)13(7-10)17-12-4-2-1-3-11(12)15/h1-7,16H,8H2.
What are the key properties of [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol?
[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol has a molecular weight of 313.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 55237943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).