3-methoxy-2-methyldibenzothiophene

C14H12OS — CID 18739009

IUPAC3-methoxy-2-methyldibenzothiophene
SMILESCOc1cc2sc3ccccc3c2cc1C
InChIInChI=1S/C14H12OS/c1-9-7-11-10-5-3-4-6-13(10)16-14(11)8-12(9)15-2/h3-8H,1-2H3
InChIKeyJQEQDPIEQUFBRZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP4.37
Rot. Bonds1

About 3-methoxy-2-methyldibenzothiophene

3-methoxy-2-methyldibenzothiophene (PubChem CID 18739009) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-methoxy-2-methyldibenzothiophene.

Molecular Properties

Compound Name3-methoxy-2-methyldibenzothiophene
PubChem CID18739009
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name3-methoxy-2-methyldibenzothiophene
SMILESCOc1cc2sc3ccccc3c2cc1C
InChIInChI=1S/C14H12OS/c1-9-7-11-10-5-3-4-6-13(10)16-14(11)8-12(9)15-2/h3-8H,1-2H3
InChIKeyJQEQDPIEQUFBRZ-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(dibenzothiophene);ethane
CID 143921746
1,3-dimethoxy-2-methylthioxanthen-9-one
CID 175537733
(2S)-1-ethyl-3-(3-methoxydibenzothiophen-2-yl)-2-methyl-2H-benzimidazole
CID 170174966
dibenzothiophene;methane
CID 162233710
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
2,3,4-trimethyldibenzothiophene
CID 15818020
1-methyl-8-(2-methyldibenzothiophen-3-yl)dibenzothiophene
CID 175613525
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
CID 166787448
17,35-bis(4-methoxyphenyl)-7,25-dithianonacyclo[19.15.0.03,19.04,16.06,14.08,13.022,34.024,32.026,31]hexatriaconta-1,3,5,8,10,12,14,16,18,20,22(34),23,26,28,30,32,35-heptadecaene
CID 89417541
2-[(2-methylphenyl)methyl]dibenzothiophene
CID 135219412
1-methyldibenzothiophene
CID 23839
2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
CID 172684607

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyldibenzothiophene?
The IUPAC name of 3-methoxy-2-methyldibenzothiophene (CID 18739009) is 3-methoxy-2-methyldibenzothiophene.
What is the SMILES notation for 3-methoxy-2-methyldibenzothiophene?
The canonical SMILES for 3-methoxy-2-methyldibenzothiophene is COc1cc2sc3ccccc3c2cc1C.
What is the InChIKey of 3-methoxy-2-methyldibenzothiophene?
The InChIKey is JQEQDPIEQUFBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-9-7-11-10-5-3-4-6-13(10)16-14(11)8-12(9)15-2/h3-8H,1-2H3.
What are the key properties of 3-methoxy-2-methyldibenzothiophene?
3-methoxy-2-methyldibenzothiophene has a molecular weight of 228.32 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyldibenzothiophene is sourced from PubChem (CID 18739009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).