[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol

C12H17ClO5S — CID 104666078

IUPAC[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
SMILESCCS(=O)(=O)CCOc1c(CO)cc(Cl)cc1OC
InChIInChI=1S/C12H17ClO5S/c1-3-19(15,16)5-4-18-12-9(8-14)6-10(13)7-11(12)17-2/h6-7,14H,3-5,8H2,1-2H3
InChIKeyDEBMOEZGLNJDPC-UHFFFAOYSA-N
MW308.78 g/mol
LogP1.65
Rot. Bonds7

About [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol

[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol (PubChem CID 104666078) has the molecular formula C12H17ClO5S and a molecular weight of 308.78 g/mol. Its IUPAC name is [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
PubChem CID104666078
Molecular FormulaC12H17ClO5S
Molecular Weight308.78 g/mol
Exact Mass308.05
IUPAC Name[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
SMILESCCS(=O)(=O)CCOc1c(CO)cc(Cl)cc1OC
InChIInChI=1S/C12H17ClO5S/c1-3-19(15,16)5-4-18-12-9(8-14)6-10(13)7-11(12)17-2/h6-7,14H,3-5,8H2,1-2H3
InChIKeyDEBMOEZGLNJDPC-UHFFFAOYSA-N
XLogP1.65
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methoxybenzene
CID 104666222
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
CID 104666066
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830
1-(bromomethyl)-5-chloro-2-(3-ethylsulfonylpropoxy)-3-methoxybenzene
CID 104666435
5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
CID 104665382
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
(2-but-3-ynoxy-5-chloro-3-methoxyphenyl)methanol
CID 104665943
4-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-methylbutanamide
CID 104666048
[5-chloro-2-[(2,5-dichlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 104665993
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
CID 104666169
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
4-(2-ethylsulfonylethoxy)-3,5-dimethoxybenzoic acid
CID 43807853

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol?
The IUPAC name of [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol (CID 104666078) is [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol?
The canonical SMILES for [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol is CCS(=O)(=O)CCOc1c(CO)cc(Cl)cc1OC.
What is the InChIKey of [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol?
The InChIKey is DEBMOEZGLNJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO5S/c1-3-19(15,16)5-4-18-12-9(8-14)6-10(13)7-11(12)17-2/h6-7,14H,3-5,8H2,1-2H3.
What are the key properties of [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol?
[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol has a molecular weight of 308.78 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol is sourced from PubChem (CID 104666078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).