1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene

C18H22OS — CID 54018925

IUPAC1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H22OS/c1-11-7-9-17(15(5)13(11)3)20(19)18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3
InChIKeyKXOCHUDPFIHFMN-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.70
Rot. Bonds2

About 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene

1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene (PubChem CID 54018925) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene.

Molecular Properties

Compound Name1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene
PubChem CID54018925
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C18H22OS/c1-11-7-9-17(15(5)13(11)3)20(19)18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3
InChIKeyKXOCHUDPFIHFMN-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene?
The IUPAC name of 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene (CID 54018925) is 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene.
What is the SMILES notation for 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene?
The canonical SMILES for 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene is Cc1ccc(S(=O)c2ccc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene?
The InChIKey is KXOCHUDPFIHFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-11-7-9-17(15(5)13(11)3)20(19)18-10-8-12(2)14(4)16(18)6/h7-10H,1-6H3.
What are the key properties of 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene?
1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene has a molecular weight of 286.44 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-(2,3,4-trimethylphenyl)sulfinylbenzene is sourced from PubChem (CID 54018925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).