2-[(4-bromophenyl)methylsulfinyl]ethanol

C9H11BrO2S — CID 123105993

IUPAC2-[(4-bromophenyl)methylsulfinyl]ethanol
SMILESO=S(CCO)Cc1ccc(Br)cc1
InChIInChI=1S/C9H11BrO2S/c10-9-3-1-8(2-4-9)7-13(12)6-5-11/h1-4,11H,5-7H2
InChIKeyBYYHAJUIINTDKA-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.69
Rot. Bonds4

About 2-[(4-bromophenyl)methylsulfinyl]ethanol

2-[(4-bromophenyl)methylsulfinyl]ethanol (PubChem CID 123105993) has the molecular formula C9H11BrO2S and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfinyl]ethanol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfinyl]ethanol
PubChem CID123105993
Molecular FormulaC9H11BrO2S
Molecular Weight263.16 g/mol
Exact Mass261.97
IUPAC Name2-[(4-bromophenyl)methylsulfinyl]ethanol
SMILESO=S(CCO)Cc1ccc(Br)cc1
InChIInChI=1S/C9H11BrO2S/c10-9-3-1-8(2-4-9)7-13(12)6-5-11/h1-4,11H,5-7H2
InChIKeyBYYHAJUIINTDKA-UHFFFAOYSA-N
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide
CID 129411278
4-benzylsulfinyl-1-(4-bromophenyl)butan-1-one
CID 64640256
5-[(4-bromophenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123106052
2-(2-hydroxyethylsulfinyl)ethanol
CID 18330
4-[(4-bromophenyl)methylsulfinyl]aniline
CID 61368304
4-bromo-N-(2-hydroxyethyl)benzenesulfinamide
CID 156509952
1-bromo-4-[2-(sulfinoamino)ethyl]benzene
CID 89455632
1-iodo-4-[(4-iodophenyl)methylsulfinylmethyl]benzene
CID 54230529
[4-(4-bromophenyl)phenyl]methanol
CID 1393673
2-methyl-4-[[4-[(3-methyl-3-sulfobutyl)sulfinylmethyl]phenyl]methylsulfinyl]butane-2-sulfonic acid
CID 10278776
3-[(4-bromophenyl)methylsulfinyl]butan-1-amine
CID 81193519
4-[(4-bromo-2-fluorophenyl)methylsulfinylmethyl]benzoic acid
CID 123107049

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfinyl]ethanol?
The IUPAC name of 2-[(4-bromophenyl)methylsulfinyl]ethanol (CID 123105993) is 2-[(4-bromophenyl)methylsulfinyl]ethanol.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfinyl]ethanol?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfinyl]ethanol is O=S(CCO)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfinyl]ethanol?
The InChIKey is BYYHAJUIINTDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2S/c10-9-3-1-8(2-4-9)7-13(12)6-5-11/h1-4,11H,5-7H2.
What are the key properties of 2-[(4-bromophenyl)methylsulfinyl]ethanol?
2-[(4-bromophenyl)methylsulfinyl]ethanol has a molecular weight of 263.16 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfinyl]ethanol is sourced from PubChem (CID 123105993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).