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

C14H13BrO2S — CID 63812767

IUPAC[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
SMILESCOc1ccc(Sc2cc(Br)ccc2CO)cc1
InChIInChI=1S/C14H13BrO2S/c1-17-12-4-6-13(7-5-12)18-14-8-11(15)3-2-10(14)9-16/h2-8,16H,9H2,1H3
InChIKeyIDNLFIXEBXRHHR-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.10
Rot. Bonds4

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

[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol (PubChem CID 63812767) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
PubChem CID63812767
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
SMILESCOc1ccc(Sc2cc(Br)ccc2CO)cc1
InChIInChI=1S/C14H13BrO2S/c1-17-12-4-6-13(7-5-12)18-14-8-11(15)3-2-10(14)9-16/h2-8,16H,9H2,1H3
InChIKeyIDNLFIXEBXRHHR-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
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[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
[4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methanol
CID 102926243
4-bromo-2-chloro-1-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 113471420
[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol
CID 55237943
N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807631
1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene
CID 91877399
N-[[4-bromo-2-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63805089
2-[4-bromo-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63818081
1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol?
The IUPAC name of [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol (CID 63812767) is [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol?
The canonical SMILES for [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol is COc1ccc(Sc2cc(Br)ccc2CO)cc1.
What is the InChIKey of [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol?
The InChIKey is IDNLFIXEBXRHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c1-17-12-4-6-13(7-5-12)18-14-8-11(15)3-2-10(14)9-16/h2-8,16H,9H2,1H3.
What are the key properties of [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol?
[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol has a molecular weight of 325.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63812767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).