2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol

C12H18O4S — CID 110018786

IUPAC2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol
SMILESCOc1ccccc1CCCS(=O)(=O)CCO
InChIInChI=1S/C12H18O4S/c1-16-12-7-3-2-5-11(12)6-4-9-17(14,15)10-8-13/h2-3,5,7,13H,4,6,8-10H2,1H3
InChIKeyJAYPVGYCBHMJPJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.03
Rot. Bonds7

About 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol

2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol (PubChem CID 110018786) has the molecular formula C12H18O4S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol
PubChem CID110018786
Molecular FormulaC12H18O4S
Molecular Weight258.34 g/mol
Exact Mass258.09
IUPAC Name2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol
SMILESCOc1ccccc1CCCS(=O)(=O)CCO
InChIInChI=1S/C12H18O4S/c1-16-12-7-3-2-5-11(12)6-4-9-17(14,15)10-8-13/h2-3,5,7,13H,4,6,8-10H2,1H3
InChIKeyJAYPVGYCBHMJPJ-UHFFFAOYSA-N
XLogP1.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-methoxy-2-tetradecylbenzene
CID 69169530
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734391
4-bromo-1-(3-ethylsulfonylpropyl)-2-methoxybenzene
CID 75503099
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
trimethylsilyl 4-(2-methoxyphenyl)butanoate
CID 584242

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol?
The IUPAC name of 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol (CID 110018786) is 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol?
The canonical SMILES for 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol is COc1ccccc1CCCS(=O)(=O)CCO.
What is the InChIKey of 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol?
The InChIKey is JAYPVGYCBHMJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4S/c1-16-12-7-3-2-5-11(12)6-4-9-17(14,15)10-8-13/h2-3,5,7,13H,4,6,8-10H2,1H3.
What are the key properties of 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol?
2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol has a molecular weight of 258.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)propylsulfonyl]ethanol is sourced from PubChem (CID 110018786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).