[(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate

C20H19ClO5S — CID 139628814

IUPAC[(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate
SMILESCOc1ccc(S(O[Cl+3]([O-])([O-])[O-])(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19ClO5S/c1-16-8-12-19(13-9-16)27(26-21(22,23)24,18-6-4-3-5-7-18)20-14-10-17(25-2)11-15-20/h3-15H,1-2H3
InChIKeyAVDHKBXZYBSIKU-UHFFFAOYSA-N
MW406.89 g/mol
LogP2.11
Rot. Bonds6

About [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate

[(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate (PubChem CID 139628814) has the molecular formula C20H19ClO5S and a molecular weight of 406.89 g/mol. Its IUPAC name is [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate.

Molecular Properties

Compound Name[(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate
PubChem CID139628814
Molecular FormulaC20H19ClO5S
Molecular Weight406.89 g/mol
Exact Mass406.06
IUPAC Name[(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate
SMILESCOc1ccc(S(O[Cl+3]([O-])([O-])[O-])(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19ClO5S/c1-16-8-12-19(13-9-16)27(26-21(22,23)24,18-6-4-3-5-7-18)20-14-10-17(25-2)11-15-20/h3-15H,1-2H3
InChIKeyAVDHKBXZYBSIKU-UHFFFAOYSA-N
XLogP2.11
TPSA87.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-methoxy-4-methylbenzene;phenol
CID 167630836
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
anisole;ethane;methoxymethane;toluene
CID 91157363
anisole;ethane;methane;toluene
CID 162203446
perchloryl 4-methylbenzenesulfonate
CID 87266305
tris(4-methylphenyl)-phenyl-λ4-sulfane
CID 70223944
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
[4-(triphenyl-λ4-sulfanyl)oxysulfonylphenyl] 4-methylbenzenesulfonate
CID 15475942

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate?
The IUPAC name of [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate (CID 139628814) is [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate.
What is the SMILES notation for [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate?
The canonical SMILES for [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate is COc1ccc(S(O[Cl+3]([O-])([O-])[O-])(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate?
The InChIKey is AVDHKBXZYBSIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO5S/c1-16-8-12-19(13-9-16)27(26-21(22,23)24,18-6-4-3-5-7-18)20-14-10-17(25-2)11-15-20/h3-15H,1-2H3.
What are the key properties of [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate?
[(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate has a molecular weight of 406.89 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)-(4-methylphenyl)-phenyl-λ4-sulfanyl] perchlorate is sourced from PubChem (CID 139628814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).