1-(methoxymethyl)dibenzothiophene

C14H12OS — CID 174808935

IUPAC1-(methoxymethyl)dibenzothiophene
SMILESCOCc1cccc2sc3ccccc3c12
InChIInChI=1S/C14H12OS/c1-15-9-10-5-4-8-13-14(10)11-6-2-3-7-12(11)16-13/h2-8H,9H2,1H3
InChIKeyIHNQXNWVFVSGAF-UHFFFAOYSA-N
MW228.32 g/mol
LogP4.20
Rot. Bonds2

About 1-(methoxymethyl)dibenzothiophene

1-(methoxymethyl)dibenzothiophene (PubChem CID 174808935) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(methoxymethyl)dibenzothiophene.

Molecular Properties

Compound Name1-(methoxymethyl)dibenzothiophene
PubChem CID174808935
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name1-(methoxymethyl)dibenzothiophene
SMILESCOCc1cccc2sc3ccccc3c12
InChIInChI=1S/C14H12OS/c1-15-9-10-5-4-8-13-14(10)11-6-2-3-7-12(11)16-13/h2-8H,9H2,1H3
InChIKeyIHNQXNWVFVSGAF-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)dibenzothiophene
CID 139500455
1-methyldibenzothiophene
CID 23839
bis(dibenzothiophene);ethane
CID 143921746
dibenzothiophene;methane
CID 162233710
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
dibenzothiophene-1-diazonium
CID 71331695
dibenzothiophen-1-yl(phosphanyloxy)phosphane
CID 141312338
N-methyl-N-phenyldibenzothiophen-1-amine
CID 137491193
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
ethane;4-ethyldibenzothiophene
CID 123227550
4-(methoxymethyl)-1-benzothiophene-2-carboximidamide
CID 89153115
1-phenyldibenzothiophene;hydrobromide
CID 174679709

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)dibenzothiophene?
The IUPAC name of 1-(methoxymethyl)dibenzothiophene (CID 174808935) is 1-(methoxymethyl)dibenzothiophene.
What is the SMILES notation for 1-(methoxymethyl)dibenzothiophene?
The canonical SMILES for 1-(methoxymethyl)dibenzothiophene is COCc1cccc2sc3ccccc3c12.
What is the InChIKey of 1-(methoxymethyl)dibenzothiophene?
The InChIKey is IHNQXNWVFVSGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-15-9-10-5-4-8-13-14(10)11-6-2-3-7-12(11)16-13/h2-8H,9H2,1H3.
What are the key properties of 1-(methoxymethyl)dibenzothiophene?
1-(methoxymethyl)dibenzothiophene has a molecular weight of 228.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)dibenzothiophene is sourced from PubChem (CID 174808935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).