1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol

C16H18O3S — CID 174823491

IUPAC1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-13(17)11-14-7-9-15(10-8-14)12-20(18,19)16-5-3-2-4-6-16/h2-10,13,17H,11-12H2,1H3
InChIKeyULDYWMLIRRUXDH-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.58
Rot. Bonds5

About 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol

1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol (PubChem CID 174823491) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol
PubChem CID174823491
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-13(17)11-14-7-9-15(10-8-14)12-20(18,19)16-5-3-2-4-6-16/h2-10,13,17H,11-12H2,1H3
InChIKeyULDYWMLIRRUXDH-UHFFFAOYSA-N
XLogP2.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
oxalic acid;1-phenylpropan-2-ol
CID 162336088
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
methane;1-methyl-4-(2-methylpropyl)benzene;tris(1-methyl-4-[[4-(2-methylpropyl)phenyl]methylsulfonyl]benzene);tris(1-(4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]ethanone);2-[4-(2-methylpropyl)phenyl]-1-phenylethanone
CID 162180580
3-[4-(benzenesulfonylmethyl)phenyl]propanal
CID 159741196
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
(4-benzylsulfonylphenyl)boronic acid;methane
CID 158684616
ethane;2-methylpropylbenzene;2-methylpropylsulfonylbenzene
CID 160599750
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
CID 55758138
2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345550

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol (CID 174823491) is 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol is CC(O)Cc1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol?
The InChIKey is ULDYWMLIRRUXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-13(17)11-14-7-9-15(10-8-14)12-20(18,19)16-5-3-2-4-6-16/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol?
1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol has a molecular weight of 290.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonylmethyl)phenyl]propan-2-ol is sourced from PubChem (CID 174823491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).