4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol

C10H11BrO2S — CID 169456438

IUPAC4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol
SMILESCOc1cc(Br)cc(C=CCS)c1O
InChIInChI=1S/C10H11BrO2S/c1-13-9-6-8(11)5-7(10(9)12)3-2-4-14/h2-3,5-6,12,14H,4H2,1H3
InChIKeyXZUGLYAEENJDPY-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.11
Rot. Bonds3

About 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol

4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol (PubChem CID 169456438) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol
PubChem CID169456438
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol
SMILESCOc1cc(Br)cc(C=CCS)c1O
InChIInChI=1S/C10H11BrO2S/c1-13-9-6-8(11)5-7(10(9)12)3-2-4-14/h2-3,5-6,12,14H,4H2,1H3
InChIKeyXZUGLYAEENJDPY-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

S-[3-(5-bromo-2-hydroxy-3-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169458491
(E)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)but-3-en-2-one
CID 14509484
4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol
CID 67933533
3-(4-bromo-3,5-dimethoxyphenyl)prop-2-ene-1-thiol
CID 169456373
3-(4-methoxy-2,5-dimethylphenyl)prop-2-ene-1-thiol
CID 169455467
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol
CID 135500758
(E)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one
CID 126484282
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2844355
4-bromo-2-methoxy-6-(1,2,4-triazol-4-yliminomethyl)phenol
CID 796355

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol?
The IUPAC name of 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol (CID 169456438) is 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol is COc1cc(Br)cc(C=CCS)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol?
The InChIKey is XZUGLYAEENJDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-13-9-6-8(11)5-7(10(9)12)3-2-4-14/h2-3,5-6,12,14H,4H2,1H3.
What are the key properties of 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol?
4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol has a molecular weight of 275.17 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol is sourced from PubChem (CID 169456438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).