5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol

C12H18O4S — CID 139270330

IUPAC5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol
SMILESCCS(=O)(=O)c1cc(O)c(C(C)C)cc1OC
InChIInChI=1S/C12H18O4S/c1-5-17(14,15)12-7-10(13)9(8(2)3)6-11(12)16-4/h6-8,13H,5H2,1-4H3
InChIKeyPIURYCJFFJRPKV-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.32
Rot. Bonds4

About 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol

5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol (PubChem CID 139270330) has the molecular formula C12H18O4S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol
PubChem CID139270330
Molecular FormulaC12H18O4S
Molecular Weight258.34 g/mol
Exact Mass258.09
IUPAC Name5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol
SMILESCCS(=O)(=O)c1cc(O)c(C(C)C)cc1OC
InChIInChI=1S/C12H18O4S/c1-5-17(14,15)12-7-10(13)9(8(2)3)6-11(12)16-4/h6-8,13H,5H2,1-4H3
InChIKeyPIURYCJFFJRPKV-UHFFFAOYSA-N
XLogP2.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835
5-ethynyl-4-methoxy-2-propan-2-ylphenol
CID 130034854
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
2-(1-fluoroethyl)-4,5-dimethoxyphenol
CID 84669374
5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol
CID 93477742
5-ethyl-2-methoxy-4-pentan-2-ylphenol
CID 10307983
4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenol;[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl] 4-methylbenzenesulfonate
CID 159042953
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol?
The IUPAC name of 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol (CID 139270330) is 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol.
What is the SMILES notation for 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol?
The canonical SMILES for 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol is CCS(=O)(=O)c1cc(O)c(C(C)C)cc1OC.
What is the InChIKey of 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol?
The InChIKey is PIURYCJFFJRPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4S/c1-5-17(14,15)12-7-10(13)9(8(2)3)6-11(12)16-4/h6-8,13H,5H2,1-4H3.
What are the key properties of 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol?
5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol has a molecular weight of 258.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-4-methoxy-2-propan-2-ylphenol is sourced from PubChem (CID 139270330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).