deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin

C14H16O2 — CID 91207856

IUPACdeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin
SMILESCc1cccc2c1OC1C=CC=CC1O2.[2H]C
InChIInChI=1S/C13H12O2.CH4/c1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;/h2-8,10-11H,1H3;1H4/i;1D
InChIKeyYUFMJRAJXHTDBB-DIYDOPDJSA-N
MW217.29 g/mol
LogP3.27
Rot. Bonds

About deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin

deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin (PubChem CID 91207856) has the molecular formula C14H16O2 and a molecular weight of 217.29 g/mol. Its IUPAC name is deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin.

Molecular Properties

Compound Namedeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin
PubChem CID91207856
Molecular FormulaC14H16O2
Molecular Weight217.29 g/mol
Exact Mass217.12
IUPAC Namedeuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin
SMILESCc1cccc2c1OC1C=CC=CC1O2.[2H]C
InChIInChI=1S/C13H12O2.CH4/c1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;/h2-8,10-11H,1H3;1H4/i;1D
InChIKeyYUFMJRAJXHTDBB-DIYDOPDJSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane
CID 162737924
1-(4-methyl-1,3-benzodioxol-2-yl)ethanone
CID 66981012
(2S)-N,N-diethyl-4-methyl-1,3-benzodioxole-2-carboxamide
CID 125479578
4-methyl-8,10a-dihydro-5aH-cyclohepta[b][1]benzofuran
CID 178110207
ethane;5-methyl-1,4-benzodioxine
CID 54069523
(7S)-5,7,9-trimethyl-6,7-dihydro-5H-1,4,8-benzotrioxecin-3-one
CID 102088243
(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
CID 146532547
9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene
CID 177453587
3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
CID 156791936
(5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl carbamate
CID 23849844
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene
CID 141380218
2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene
CID 163537485

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin?
The IUPAC name of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin (CID 91207856) is deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin.
What is the SMILES notation for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin?
The canonical SMILES for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin is Cc1cccc2c1OC1C=CC=CC1O2.[2H]C.
What is the InChIKey of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin?
The InChIKey is YUFMJRAJXHTDBB-DIYDOPDJSA-N. The full InChI is InChI=1S/C13H12O2.CH4/c1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12;/h2-8,10-11H,1H3;1H4/i;1D.
What are the key properties of deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin?
deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin has a molecular weight of 217.29 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;6-methyl-4a,10a-dihydrodibenzo-p-dioxin is sourced from PubChem (CID 91207856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).