methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone

C23H23ClO5S — CID 90751241

IUPACmethanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)c(C)c1.CS(=O)(=O)Cl
InChIInChI=1S/C22H20O3.CH3ClO2S/c1-15-4-6-17(7-5-15)22(23)18-8-10-19(11-9-18)25-21-13-12-20(24-3)14-16(21)2;1-5(2,3)4/h4-14H,1-3H3;1H3
InChIKeyRFSQNFSVBKXKKA-UHFFFAOYSA-N
MW446.95 g/mol
LogP5.52
Rot. Bonds5

About methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone

methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone (PubChem CID 90751241) has the molecular formula C23H23ClO5S and a molecular weight of 446.95 g/mol. Its IUPAC name is methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Namemethanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone
PubChem CID90751241
Molecular FormulaC23H23ClO5S
Molecular Weight446.95 g/mol
Exact Mass446.10
IUPAC Namemethanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone
SMILESCOc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)c(C)c1.CS(=O)(=O)Cl
InChIInChI=1S/C22H20O3.CH3ClO2S/c1-15-4-6-17(7-5-15)22(23)18-8-10-19(11-9-18)25-21-13-12-20(24-3)14-16(21)2;1-5(2,3)4/h4-14H,1-3H3;1H3
InChIKeyRFSQNFSVBKXKKA-UHFFFAOYSA-N
XLogP5.52
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.95
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methanesulfonic acid;[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90873259
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
sodium 2-[4-(4-methoxybenzoyl)phenoxy]-5-methylbenzenesulfonate
CID 140825033
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185

Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone (CID 90751241) is methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone is COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)c(C)c1.CS(=O)(=O)Cl.
What is the InChIKey of methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone?
The InChIKey is RFSQNFSVBKXKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3.CH3ClO2S/c1-15-4-6-17(7-5-15)22(23)18-8-10-19(11-9-18)25-21-13-12-20(24-3)14-16(21)2;1-5(2,3)4/h4-14H,1-3H3;1H3.
What are the key properties of methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone?
methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone has a molecular weight of 446.95 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;[4-(4-methoxy-2-methylphenoxy)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 90751241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).