2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol

C16H18O2S — CID 14023061

IUPAC2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)(C(O)c1ccccc1)S(=O)c1ccccc1
InChIInChI=1S/C16H18O2S/c1-16(2,15(17)13-9-5-3-6-10-13)19(18)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3
InChIKeyBQVIIFZVOSTLSK-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.31
Rot. Bonds4

About 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol

2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 14023061) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol
PubChem CID14023061
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)(C(O)c1ccccc1)S(=O)c1ccccc1
InChIInChI=1S/C16H18O2S/c1-16(2,15(17)13-9-5-3-6-10-13)19(18)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3
InChIKeyBQVIIFZVOSTLSK-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
CID 11638185
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
ethane;trifluoromethylsulfinylbenzene
CID 142140628
3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid
CID 555334
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol (CID 14023061) is 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol is CC(C)(C(O)c1ccccc1)S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is BQVIIFZVOSTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-16(2,15(17)13-9-5-3-6-10-13)19(18)14-11-7-4-8-12-14/h3-12,15,17H,1-2H3.
What are the key properties of 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol?
2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 274.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 14023061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).