4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene

C11H15BrO3S — CID 167882354

IUPAC4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene
SMILESCCOc1cc(Br)ccc1CS(=O)(=O)CC
InChIInChI=1S/C11H15BrO3S/c1-3-15-11-7-10(12)6-5-9(11)8-16(13,14)4-2/h5-7H,3-4,8H2,1-2H3
InChIKeySPCAHTZLBSYVPP-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.78
Rot. Bonds5

About 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene

4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene (PubChem CID 167882354) has the molecular formula C11H15BrO3S and a molecular weight of 307.21 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene.

Molecular Properties

Compound Name4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene
PubChem CID167882354
Molecular FormulaC11H15BrO3S
Molecular Weight307.21 g/mol
Exact Mass305.99
IUPAC Name4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene
SMILESCCOc1cc(Br)ccc1CS(=O)(=O)CC
InChIInChI=1S/C11H15BrO3S/c1-3-15-11-7-10(12)6-5-9(11)8-16(13,14)4-2/h5-7H,3-4,8H2,1-2H3
InChIKeySPCAHTZLBSYVPP-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174820450
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2-(5-bromo-2-ethylphenoxy)acetic acid
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1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
CID 107980915
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
2-bromo-1-(4-bromo-2-ethoxyphenyl)ethanone
CID 22121450
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
4-bromo-1-chloro-2-(3-ethylsulfonylpropoxy)benzene
CID 65092693
1-bromo-4-ethoxy-2,5-diethylbenzene
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(2,4-dibromophenyl)methanesulfonamide
CID 107944156

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene?
The IUPAC name of 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene (CID 167882354) is 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene.
What is the SMILES notation for 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene?
The canonical SMILES for 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene is CCOc1cc(Br)ccc1CS(=O)(=O)CC.
What is the InChIKey of 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene?
The InChIKey is SPCAHTZLBSYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3S/c1-3-15-11-7-10(12)6-5-9(11)8-16(13,14)4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene?
4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene has a molecular weight of 307.21 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-1-(ethylsulfonylmethyl)benzene is sourced from PubChem (CID 167882354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).