4-methyl-3,4-dihydro-1,2-benzodioxine

C9H10O2 — CID 54240008

IUPAC4-methyl-3,4-dihydro-1,2-benzodioxine
SMILESCC1COOc2ccccc21
InChIInChI=1S/C9H10O2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyQPIPUSFFBGQTMA-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.11
Rot. Bonds

About 4-methyl-3,4-dihydro-1,2-benzodioxine

4-methyl-3,4-dihydro-1,2-benzodioxine (PubChem CID 54240008) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-1,2-benzodioxine.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-1,2-benzodioxine
PubChem CID54240008
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4-methyl-3,4-dihydro-1,2-benzodioxine
SMILESCC1COOc2ccccc21
InChIInChI=1S/C9H10O2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyQPIPUSFFBGQTMA-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine
CID 91335559
3,4-dihydro-1,2-benzodioxine-4-carbohydrazide
CID 174268779
5-methyl-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 142226246
4-(2-butoxyphenyl)-3,4-dihydro-1,2-benzodioxine
CID 173144157
(4S)-4-methyl-3,4-dihydro-1,2λ6-benzoxathiine 2,2-dioxide
CID 134963054
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
CID 100969448
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 115418421
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
(1S,4R)-1-ethenyl-4-methyl-3,4-dihydro-1H-isochromene
CID 138550944

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydro-1,2-benzodioxine?
The IUPAC name of 4-methyl-3,4-dihydro-1,2-benzodioxine (CID 54240008) is 4-methyl-3,4-dihydro-1,2-benzodioxine.
What is the SMILES notation for 4-methyl-3,4-dihydro-1,2-benzodioxine?
The canonical SMILES for 4-methyl-3,4-dihydro-1,2-benzodioxine is CC1COOc2ccccc21.
What is the InChIKey of 4-methyl-3,4-dihydro-1,2-benzodioxine?
The InChIKey is QPIPUSFFBGQTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3.
What are the key properties of 4-methyl-3,4-dihydro-1,2-benzodioxine?
4-methyl-3,4-dihydro-1,2-benzodioxine has a molecular weight of 150.18 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydro-1,2-benzodioxine is sourced from PubChem (CID 54240008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).