2-[(2-methylphenyl)methyl]dibenzothiophene

C20H16S — CID 135219412

IUPAC2-[(2-methylphenyl)methyl]dibenzothiophene
SMILESCc1ccccc1Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C20H16S/c1-14-6-2-3-7-16(14)12-15-10-11-20-18(13-15)17-8-4-5-9-19(17)21-20/h2-11,13H,12H2,1H3
InChIKeyGVNYMHWRWNOWON-UHFFFAOYSA-N
MW288.42 g/mol
LogP5.95
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]dibenzothiophene

2-[(2-methylphenyl)methyl]dibenzothiophene (PubChem CID 135219412) has the molecular formula C20H16S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]dibenzothiophene.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]dibenzothiophene
PubChem CID135219412
Molecular FormulaC20H16S
Molecular Weight288.42 g/mol
Exact Mass288.10
IUPAC Name2-[(2-methylphenyl)methyl]dibenzothiophene
SMILESCc1ccccc1Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C20H16S/c1-14-6-2-3-7-16(14)12-15-10-11-20-18(13-15)17-8-4-5-9-19(17)21-20/h2-11,13H,12H2,1H3
InChIKeyGVNYMHWRWNOWON-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.42
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-6-methyldibenzothiophene
CID 155004541
2-(2-iodo-2-methylpropyl)dibenzothiophene
CID 167162829
2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
CID 138496173
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
bis(dibenzothiophene);ethane
CID 143921746
N-methyldibenzothiophen-2-amine
CID 138617905
2-methyl-8-[2-(6-methyldibenzothiophen-2-yl)ethyl]dibenzothiophene
CID 138662442
3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine
CID 20573249
4-dibenzothiophen-2-ylbutanal
CID 89173289
1-methyldibenzothiophene
CID 23839
3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine
CID 20572908
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]dibenzothiophene?
The IUPAC name of 2-[(2-methylphenyl)methyl]dibenzothiophene (CID 135219412) is 2-[(2-methylphenyl)methyl]dibenzothiophene.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]dibenzothiophene?
The canonical SMILES for 2-[(2-methylphenyl)methyl]dibenzothiophene is Cc1ccccc1Cc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]dibenzothiophene?
The InChIKey is GVNYMHWRWNOWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16S/c1-14-6-2-3-7-16(14)12-15-10-11-20-18(13-15)17-8-4-5-9-19(17)21-20/h2-11,13H,12H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]dibenzothiophene?
2-[(2-methylphenyl)methyl]dibenzothiophene has a molecular weight of 288.42 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]dibenzothiophene is sourced from PubChem (CID 135219412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).