3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol

C12H18O4S — CID 116853242

IUPAC3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol
SMILESCOc1c(C)cc(S(=O)(=O)CCCO)cc1C
InChIInChI=1S/C12H18O4S/c1-9-7-11(8-10(2)12(9)16-3)17(14,15)6-4-5-13/h7-8,13H,4-6H2,1-3H3
InChIKeyYHNUCGTYFXHUKB-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.47
Rot. Bonds5

About 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol

3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol (PubChem CID 116853242) has the molecular formula C12H18O4S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol
PubChem CID116853242
Molecular FormulaC12H18O4S
Molecular Weight258.34 g/mol
Exact Mass258.09
IUPAC Name3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol
SMILESCOc1c(C)cc(S(=O)(=O)CCCO)cc1C
InChIInChI=1S/C12H18O4S/c1-9-7-11(8-10(2)12(9)16-3)17(14,15)6-4-5-13/h7-8,13H,4-6H2,1-3H3
InChIKeyYHNUCGTYFXHUKB-UHFFFAOYSA-N
XLogP1.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-4-nitrophenyl)sulfonylpropan-1-ol;5-(3-methoxypropylsulfonyl)-1,3-dimethyl-2-nitrobenzene
CID 157309811
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
4-methoxy-3,5-dimethylbenzenesulfonic acid
CID 13356603
3-(4-ethoxy-3-methylphenyl)sulfonylpropan-1-ol
CID 116853206
3-(2,4,5-trimethylphenyl)sulfonylpropan-1-ol
CID 116853215
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
1-[4-(3-hydroxypropylsulfonyl)phenyl]butan-1-one
CID 82164730
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
3-(5-bromo-2-methylphenyl)sulfonylpropan-1-ol
CID 116853238
4-(4-methoxybutylsulfonyl)-1,2-dimethylbenzene
CID 56793096
4-methoxy-3,5-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 112822948
2,3-dimethoxy-5-(3-methoxypropylsulfonyl)benzoic acid
CID 60925113

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol?
The IUPAC name of 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol (CID 116853242) is 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol.
What is the SMILES notation for 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol?
The canonical SMILES for 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol is COc1c(C)cc(S(=O)(=O)CCCO)cc1C.
What is the InChIKey of 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol?
The InChIKey is YHNUCGTYFXHUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4S/c1-9-7-11(8-10(2)12(9)16-3)17(14,15)6-4-5-13/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol?
3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol has a molecular weight of 258.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol is sourced from PubChem (CID 116853242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).