4-(2-methylphenyl)-1,3-benzodioxole

C14H12O2 — CID 22344656

IUPAC4-(2-methylphenyl)-1,3-benzodioxole
SMILESCc1ccccc1-c1cccc2c1OCO2
InChIInChI=1S/C14H12O2/c1-10-5-2-3-6-11(10)12-7-4-8-13-14(12)16-9-15-13/h2-8H,9H2,1H3
InChIKeyNYFYKMKFYHNBEC-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.39
Rot. Bonds1

About 4-(2-methylphenyl)-1,3-benzodioxole

4-(2-methylphenyl)-1,3-benzodioxole (PubChem CID 22344656) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1,3-benzodioxole.

Molecular Properties

Compound Name4-(2-methylphenyl)-1,3-benzodioxole
PubChem CID22344656
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-(2-methylphenyl)-1,3-benzodioxole
SMILESCc1ccccc1-c1cccc2c1OCO2
InChIInChI=1S/C14H12O2/c1-10-5-2-3-6-11(10)12-7-4-8-13-14(12)16-9-15-13/h2-8H,9H2,1H3
InChIKeyNYFYKMKFYHNBEC-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine
CID 171920461
ethane;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 178084846
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117309116
4-(2-prop-2-enoxyphenyl)-1,3-benzodioxole
CID 91017639
5-methylbenzo[g][1,3]benzodioxole
CID 90367464
3-(azidomethyl)-5-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 90866841
4,5-dimethyl-1,3-benzodioxole
CID 12958464
N-methyl-1,3-benzodioxol-4-amine
CID 55252977
benzene;1,3-benzodioxole
CID 158998325
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1,3-benzodioxole;hydrobromide
CID 172797493

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1,3-benzodioxole?
The IUPAC name of 4-(2-methylphenyl)-1,3-benzodioxole (CID 22344656) is 4-(2-methylphenyl)-1,3-benzodioxole.
What is the SMILES notation for 4-(2-methylphenyl)-1,3-benzodioxole?
The canonical SMILES for 4-(2-methylphenyl)-1,3-benzodioxole is Cc1ccccc1-c1cccc2c1OCO2.
What is the InChIKey of 4-(2-methylphenyl)-1,3-benzodioxole?
The InChIKey is NYFYKMKFYHNBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-10-5-2-3-6-11(10)12-7-4-8-13-14(12)16-9-15-13/h2-8H,9H2,1H3.
What are the key properties of 4-(2-methylphenyl)-1,3-benzodioxole?
4-(2-methylphenyl)-1,3-benzodioxole has a molecular weight of 212.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1,3-benzodioxole is sourced from PubChem (CID 22344656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).