[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride

C15H21ClO4S — CID 65003088

IUPAC[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
SMILESCOc1ccc(COCC2(CS(=O)(=O)Cl)CCCC2)cc1
InChIInChI=1S/C15H21ClO4S/c1-19-14-6-4-13(5-7-14)10-20-11-15(8-2-3-9-15)12-21(16,17)18/h4-7H,2-3,8-12H2,1H3
InChIKeyCJHKEGXROINIDT-UHFFFAOYSA-N
MW332.85 g/mol
LogP3.34
Rot. Bonds7

About [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride

[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride (PubChem CID 65003088) has the molecular formula C15H21ClO4S and a molecular weight of 332.85 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
PubChem CID65003088
Molecular FormulaC15H21ClO4S
Molecular Weight332.85 g/mol
Exact Mass332.08
IUPAC Name[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
SMILESCOc1ccc(COCC2(CS(=O)(=O)Cl)CCCC2)cc1
InChIInChI=1S/C15H21ClO4S/c1-19-14-6-4-13(5-7-14)10-20-11-15(8-2-3-9-15)12-21(16,17)18/h4-7H,2-3,8-12H2,1H3
InChIKeyCJHKEGXROINIDT-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride (CID 65003088) is [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride is COc1ccc(COCC2(CS(=O)(=O)Cl)CCCC2)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride?
The InChIKey is CJHKEGXROINIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO4S/c1-19-14-6-4-13(5-7-14)10-20-11-15(8-2-3-9-15)12-21(16,17)18/h4-7H,2-3,8-12H2,1H3.
What are the key properties of [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride?
[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 65003088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).