4,5-dimethyl-1,3-benzodioxole

C9H10O2 — CID 12958464

IUPAC4,5-dimethyl-1,3-benzodioxole
SMILESCc1ccc2c(c1C)OCO2
InChIInChI=1S/C9H10O2/c1-6-3-4-8-9(7(6)2)11-5-10-8/h3-4H,5H2,1-2H3
InChIKeySCDKHILCHXHUQX-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.03
Rot. Bonds

About 4,5-dimethyl-1,3-benzodioxole

4,5-dimethyl-1,3-benzodioxole (PubChem CID 12958464) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-benzodioxole.

Molecular Properties

Compound Name4,5-dimethyl-1,3-benzodioxole
PubChem CID12958464
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4,5-dimethyl-1,3-benzodioxole
SMILESCc1ccc2c(c1C)OCO2
InChIInChI=1S/C9H10O2/c1-6-3-4-8-9(7(6)2)11-5-10-8/h3-4H,5H2,1-2H3
InChIKeySCDKHILCHXHUQX-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84657265
2-(4-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84766833
5-methoxy-4-methyl-1,3-benzodioxole;5-methoxy-6-methyl-1,3-benzodioxole
CID 158028962
4,6-dimethyl-1,3-benzodioxol-5-ol
CID 59638998
O-[2-(5-methyl-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
CID 117285083
6-methylcyclobuta[g][1,3]benzodioxole
CID 19761193
5-methylbenzo[g][1,3]benzodioxole
CID 90367464
2-amino-1-(4-methyl-1,3-benzodioxol-5-yl)propan-1-one
CID 84674987
3-(5-methyl-1,3-benzodioxol-4-yl)butan-1-amine
CID 117296343
5,6-dimethyl-2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 146587329
3-(4-methyl-1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 140973764
4-(2-methylphenyl)-1,3-benzodioxole
CID 22344656

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-benzodioxole?
The IUPAC name of 4,5-dimethyl-1,3-benzodioxole (CID 12958464) is 4,5-dimethyl-1,3-benzodioxole.
What is the SMILES notation for 4,5-dimethyl-1,3-benzodioxole?
The canonical SMILES for 4,5-dimethyl-1,3-benzodioxole is Cc1ccc2c(c1C)OCO2.
What is the InChIKey of 4,5-dimethyl-1,3-benzodioxole?
The InChIKey is SCDKHILCHXHUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-3-4-8-9(7(6)2)11-5-10-8/h3-4H,5H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-benzodioxole?
4,5-dimethyl-1,3-benzodioxole has a molecular weight of 150.18 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-benzodioxole is sourced from PubChem (CID 12958464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).