4-(ethylsulfonylmethyl)-3-methylphenol

C10H14O3S — CID 117219414

IUPAC4-(ethylsulfonylmethyl)-3-methylphenol
SMILESCCS(=O)(=O)Cc1ccc(O)cc1C
InChIInChI=1S/C10H14O3S/c1-3-14(12,13)7-9-4-5-10(11)6-8(9)2/h4-6,11H,3,7H2,1-2H3
InChIKeyXPRSSFBHCMDJHC-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.64
Rot. Bonds3

About 4-(ethylsulfonylmethyl)-3-methylphenol

4-(ethylsulfonylmethyl)-3-methylphenol (PubChem CID 117219414) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-(ethylsulfonylmethyl)-3-methylphenol.

Molecular Properties

Compound Name4-(ethylsulfonylmethyl)-3-methylphenol
PubChem CID117219414
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name4-(ethylsulfonylmethyl)-3-methylphenol
SMILESCCS(=O)(=O)Cc1ccc(O)cc1C
InChIInChI=1S/C10H14O3S/c1-3-14(12,13)7-9-4-5-10(11)6-8(9)2/h4-6,11H,3,7H2,1-2H3
InChIKeyXPRSSFBHCMDJHC-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylsulfonylmethyl)-3-fluorophenol
CID 117219422
4-(2-bromoethyl)-3-methylphenol
CID 154476317
3-methyl-4-octylphenol
CID 67863636
4-(2-ethoxyprop-2-enyl)-3-methylphenol
CID 141087727
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
ethyl (2S)-2-[(4-hydroxy-2-methylphenyl)methyl]butanoate
CID 129390937
4-ethylbenzene-1,3-diol
CID 17927
4-hex-3-ynyl-3-methylphenol
CID 83923359
2-(ethylsulfonylmethyl)-1-benzothiophen-6-ol
CID 117179768
(2,4-dimethylphenyl)methanesulfonamide
CID 59964487
CID 156645550
CID 156645550
3-amino-4-ethylphenol;hydrochloride
CID 178200309

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylmethyl)-3-methylphenol?
The IUPAC name of 4-(ethylsulfonylmethyl)-3-methylphenol (CID 117219414) is 4-(ethylsulfonylmethyl)-3-methylphenol.
What is the SMILES notation for 4-(ethylsulfonylmethyl)-3-methylphenol?
The canonical SMILES for 4-(ethylsulfonylmethyl)-3-methylphenol is CCS(=O)(=O)Cc1ccc(O)cc1C.
What is the InChIKey of 4-(ethylsulfonylmethyl)-3-methylphenol?
The InChIKey is XPRSSFBHCMDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-3-14(12,13)7-9-4-5-10(11)6-8(9)2/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 4-(ethylsulfonylmethyl)-3-methylphenol?
4-(ethylsulfonylmethyl)-3-methylphenol has a molecular weight of 214.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylmethyl)-3-methylphenol is sourced from PubChem (CID 117219414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).