2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol

C12H17ClO5S — CID 60563014

IUPAC2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol
SMILESCOc1ccc(Cl)cc1CS(=O)(=O)CCOCCO
InChIInChI=1S/C12H17ClO5S/c1-17-12-3-2-11(13)8-10(12)9-19(15,16)7-6-18-5-4-14/h2-3,8,14H,4-7,9H2,1H3
InChIKeySGUFIIDGSJLXNV-UHFFFAOYSA-N
MW308.78 g/mol
LogP1.27
Rot. Bonds8

About 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol

2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol (PubChem CID 60563014) has the molecular formula C12H17ClO5S and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol
PubChem CID60563014
Molecular FormulaC12H17ClO5S
Molecular Weight308.78 g/mol
Exact Mass308.05
IUPAC Name2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol
SMILESCOc1ccc(Cl)cc1CS(=O)(=O)CCOCCO
InChIInChI=1S/C12H17ClO5S/c1-17-12-3-2-11(13)8-10(12)9-19(15,16)7-6-18-5-4-14/h2-3,8,14H,4-7,9H2,1H3
InChIKeySGUFIIDGSJLXNV-UHFFFAOYSA-N
XLogP1.27
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134005117
2-chloro-1-methoxy-3-[2-(2-methoxyethoxy)ethylsulfonylmethyl]benzene
CID 167831770
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
2-(5-chloro-2-methoxyphenyl)ethyl methanesulfonate
CID 118084157
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
5-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]aniline
CID 81175336
N-[[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]methyl]ethanamine
CID 64646928
2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]butanoic acid
CID 104539514
[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
CID 104666078
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine
CID 95447663

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol (CID 60563014) is 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol is COc1ccc(Cl)cc1CS(=O)(=O)CCOCCO.
What is the InChIKey of 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol?
The InChIKey is SGUFIIDGSJLXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO5S/c1-17-12-3-2-11(13)8-10(12)9-19(15,16)7-6-18-5-4-14/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol?
2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol has a molecular weight of 308.78 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]ethoxy]ethanol is sourced from PubChem (CID 60563014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).