(3-ethylsulfonyl-4-methylphenyl)methanol

C10H14O3S — CID 112594371

IUPAC(3-ethylsulfonyl-4-methylphenyl)methanol
SMILESCCS(=O)(=O)c1cc(CO)ccc1C
InChIInChI=1S/C10H14O3S/c1-3-14(12,13)10-6-9(7-11)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3
InChIKeyPEMTYSWQAXYKGC-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.28
Rot. Bonds3

About (3-ethylsulfonyl-4-methylphenyl)methanol

(3-ethylsulfonyl-4-methylphenyl)methanol (PubChem CID 112594371) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is (3-ethylsulfonyl-4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-ethylsulfonyl-4-methylphenyl)methanol
PubChem CID112594371
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name(3-ethylsulfonyl-4-methylphenyl)methanol
SMILESCCS(=O)(=O)c1cc(CO)ccc1C
InChIInChI=1S/C10H14O3S/c1-3-14(12,13)10-6-9(7-11)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3
InChIKeyPEMTYSWQAXYKGC-UHFFFAOYSA-N
XLogP1.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
(4-Methanesulfonylphenyl)methanol
CID 3801026
(3,5-Bis(methylsulfonyl)phenyl)methanol
CID 2761106
(3-Methylsulfanylphenyl)methanol
CID 12255742
3-(2-Hydroxyethanesulfonyl)-4-methylbenzoic acid
CID 43140819
(4-(Propan-2-ylsulfanyl)phenyl)methanol
CID 54216650
3-(Trifluoromethylsulphonyl)benzyl alcohol
CID 54236490
[3-Methanesulfonyl-5-(trifluoromethyl)phenyl]methanol
CID 57963382

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonyl-4-methylphenyl)methanol?
The IUPAC name of (3-ethylsulfonyl-4-methylphenyl)methanol (CID 112594371) is (3-ethylsulfonyl-4-methylphenyl)methanol.
What is the SMILES notation for (3-ethylsulfonyl-4-methylphenyl)methanol?
The canonical SMILES for (3-ethylsulfonyl-4-methylphenyl)methanol is CCS(=O)(=O)c1cc(CO)ccc1C.
What is the InChIKey of (3-ethylsulfonyl-4-methylphenyl)methanol?
The InChIKey is PEMTYSWQAXYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-3-14(12,13)10-6-9(7-11)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3.
What are the key properties of (3-ethylsulfonyl-4-methylphenyl)methanol?
(3-ethylsulfonyl-4-methylphenyl)methanol has a molecular weight of 214.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonyl-4-methylphenyl)methanol is sourced from PubChem (CID 112594371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).