2-(3-bromo-4-methoxyphenyl)sulfinylethanol

C9H11BrO3S — CID 134311508

IUPAC2-(3-bromo-4-methoxyphenyl)sulfinylethanol
SMILESCOc1ccc(S(=O)CCO)cc1Br
InChIInChI=1S/C9H11BrO3S/c1-13-9-3-2-7(6-8(9)10)14(12)5-4-11/h2-3,6,11H,4-5H2,1H3
InChIKeyAIRZROSBCIUGOR-UHFFFAOYSA-N
MW279.15 g/mol
LogP1.56
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)sulfinylethanol

2-(3-bromo-4-methoxyphenyl)sulfinylethanol (PubChem CID 134311508) has the molecular formula C9H11BrO3S and a molecular weight of 279.15 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)sulfinylethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)sulfinylethanol
PubChem CID134311508
Molecular FormulaC9H11BrO3S
Molecular Weight279.15 g/mol
Exact Mass277.96
IUPAC Name2-(3-bromo-4-methoxyphenyl)sulfinylethanol
SMILESCOc1ccc(S(=O)CCO)cc1Br
InChIInChI=1S/C9H11BrO3S/c1-13-9-3-2-7(6-8(9)10)14(12)5-4-11/h2-3,6,11H,4-5H2,1H3
InChIKeyAIRZROSBCIUGOR-UHFFFAOYSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970106
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
3-(3-bromo-4-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133943
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
1-bromo-2,5-dimethoxy-4-[(S)-(4-methylphenyl)sulfinyl]benzene
CID 134969171
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
2-[(3-bromo-4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 54970697
3-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 111469026
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)sulfinylethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)sulfinylethanol (CID 134311508) is 2-(3-bromo-4-methoxyphenyl)sulfinylethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)sulfinylethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)sulfinylethanol is COc1ccc(S(=O)CCO)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)sulfinylethanol?
The InChIKey is AIRZROSBCIUGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3S/c1-13-9-3-2-7(6-8(9)10)14(12)5-4-11/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)sulfinylethanol?
2-(3-bromo-4-methoxyphenyl)sulfinylethanol has a molecular weight of 279.15 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)sulfinylethanol is sourced from PubChem (CID 134311508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).