2-methoxy-3-phenylpropane-1-sulfonyl chloride

C10H13ClO3S — CID 115046417

IUPAC2-methoxy-3-phenylpropane-1-sulfonyl chloride
SMILESCOC(Cc1ccccc1)CS(=O)(=O)Cl
InChIInChI=1S/C10H13ClO3S/c1-14-10(8-15(11,12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyQQNSHDVLPJGPLL-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.81
Rot. Bonds5

About 2-methoxy-3-phenylpropane-1-sulfonyl chloride

2-methoxy-3-phenylpropane-1-sulfonyl chloride (PubChem CID 115046417) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-methoxy-3-phenylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-3-phenylpropane-1-sulfonyl chloride
PubChem CID115046417
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name2-methoxy-3-phenylpropane-1-sulfonyl chloride
SMILESCOC(Cc1ccccc1)CS(=O)(=O)Cl
InChIInChI=1S/C10H13ClO3S/c1-14-10(8-15(11,12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyQQNSHDVLPJGPLL-UHFFFAOYSA-N
XLogP1.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid
CID 122103385
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
2-methoxyoctylbenzene
CID 102054372
(2R)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122103397
(2S)-1-(2-methoxy-3-phenylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122103401
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene
CID 141293337
[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride
CID 117117226
phenyl 3-methoxy-4-phenylbutanoate
CID 174617956
tert-butyl N-(1-chlorosulfonyl-3-phenylpropan-2-yl)carbamate
CID 85362370
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
1-bromo-2-phenylethanesulfonyl chloride
CID 87756862

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenylpropane-1-sulfonyl chloride?
The IUPAC name of 2-methoxy-3-phenylpropane-1-sulfonyl chloride (CID 115046417) is 2-methoxy-3-phenylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-methoxy-3-phenylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-methoxy-3-phenylpropane-1-sulfonyl chloride is COC(Cc1ccccc1)CS(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-3-phenylpropane-1-sulfonyl chloride?
The InChIKey is QQNSHDVLPJGPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-14-10(8-15(11,12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 2-methoxy-3-phenylpropane-1-sulfonyl chloride?
2-methoxy-3-phenylpropane-1-sulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenylpropane-1-sulfonyl chloride is sourced from PubChem (CID 115046417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).