1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene

C15H15ClO3S — CID 59165659

IUPAC1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene
SMILESCOCc1cc(S(C)(=O)=O)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO3S/c1-19-10-12-9-14(20(2,17)18)7-8-15(12)11-3-5-13(16)6-4-11/h3-9H,10H2,1-2H3
InChIKeyLDWKMCPHGUTQHV-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene

1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene (PubChem CID 59165659) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene
PubChem CID59165659
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene
SMILESCOCc1cc(S(C)(=O)=O)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClO3S/c1-19-10-12-9-14(20(2,17)18)7-8-15(12)11-3-5-13(16)6-4-11/h3-9H,10H2,1-2H3
InChIKeyLDWKMCPHGUTQHV-UHFFFAOYSA-N
XLogP3.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene?
The IUPAC name of 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene (CID 59165659) is 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene?
The canonical SMILES for 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene is COCc1cc(S(C)(=O)=O)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene?
The InChIKey is LDWKMCPHGUTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-19-10-12-9-14(20(2,17)18)7-8-15(12)11-3-5-13(16)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene?
1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene has a molecular weight of 310.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene is sourced from PubChem (CID 59165659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).