2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol

C11H15BrO3S — CID 167943639

IUPAC2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol
SMILESCC(CO)S(=O)(=O)C(C)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrO3S/c1-8(7-13)16(14,15)9(2)10-3-5-11(12)6-4-10/h3-6,8-9,13H,7H2,1-2H3
InChIKeyLIWPAHDUYYUBRN-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.31
Rot. Bonds4

About 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol

2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol (PubChem CID 167943639) has the molecular formula C11H15BrO3S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol
PubChem CID167943639
Molecular FormulaC11H15BrO3S
Molecular Weight307.21 g/mol
Exact Mass305.99
IUPAC Name2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol
SMILESCC(CO)S(=O)(=O)C(C)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrO3S/c1-8(7-13)16(14,15)9(2)10-3-5-11(12)6-4-10/h3-6,8-9,13H,7H2,1-2H3
InChIKeyLIWPAHDUYYUBRN-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-bromophenyl)-2-ethylsulfonylpropan-1-ol
CID 102551068
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284
(2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol
CID 10881709
N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
CID 28560656
(2R)-2-(4-bromophenyl)-2-methoxyethanol
CID 59315196
2-(4-bromophenyl)-2-methoxyethanol
CID 20785407
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
3-(4-bromophenyl)-N-[(2S)-1-hydroxybutan-2-yl]butanamide
CID 104981313
(2S)-2-(4-bromophenyl)-2-nitroethanol
CID 87391493
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
2-[1-(4-bromophenyl)ethylsulfonyl]pyridine
CID 22764673

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol?
The IUPAC name of 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol (CID 167943639) is 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol is CC(CO)S(=O)(=O)C(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol?
The InChIKey is LIWPAHDUYYUBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3S/c1-8(7-13)16(14,15)9(2)10-3-5-11(12)6-4-10/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol?
2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol has a molecular weight of 307.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylsulfonyl]propan-1-ol is sourced from PubChem (CID 167943639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).