[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol

C15H15BrO2S — CID 66346606

IUPAC[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol
SMILESCOc1ccc(Br)c(CSc2cccc(CO)c2)c1
InChIInChI=1S/C15H15BrO2S/c1-18-13-5-6-15(16)12(8-13)10-19-14-4-2-3-11(7-14)9-17/h2-8,17H,9-10H2,1H3
InChIKeyFENVPZKKZCZXCO-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.24
Rot. Bonds5

About [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol

[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol (PubChem CID 66346606) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol
PubChem CID66346606
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol
SMILESCOc1ccc(Br)c(CSc2cccc(CO)c2)c1
InChIInChI=1S/C15H15BrO2S/c1-18-13-5-6-15(16)12(8-13)10-19-14-4-2-3-11(7-14)9-17/h2-8,17H,9-10H2,1H3
InChIKeyFENVPZKKZCZXCO-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-bromo-4-methoxy-2-[(4-nitrophenyl)sulfanylmethyl]benzene
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3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-2-methylaniline
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1-(2-bromo-5-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
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2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine
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Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol (CID 66346606) is [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol is COc1ccc(Br)c(CSc2cccc(CO)c2)c1.
What is the InChIKey of [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol?
The InChIKey is FENVPZKKZCZXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-18-13-5-6-15(16)12(8-13)10-19-14-4-2-3-11(7-14)9-17/h2-8,17H,9-10H2,1H3.
What are the key properties of [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol?
[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol has a molecular weight of 339.25 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 66346606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).