5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine

C9H9ClO2 — CID 20765776

IUPAC5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C9H9ClO2/c1-6-4-7(10)9-8(5-6)11-2-3-12-9/h4-5H,2-3H2,1H3
InChIKeyJTLCIYGBLNUNAE-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.42
Rot. Bonds

About 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine

5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 20765776) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
PubChem CID20765776
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C9H9ClO2/c1-6-4-7(10)9-8(5-6)11-2-3-12-9/h4-5H,2-3H2,1H3
InChIKeyJTLCIYGBLNUNAE-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine 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

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3,5-dimethylbenzoate
CID 7604452
5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine
CID 64665956
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
CID 51276762
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropane-1-carboxylic acid
CID 117340100
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 65150991
1-[(1S,2S)-2-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)cyclopropyl]ethanone
CID 134401425
4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene
CID 130787930
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-fluoro-5-methylaniline
CID 43217463
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 51276808
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112821394
7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 20821264
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine (CID 20765776) is 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine is Cc1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is JTLCIYGBLNUNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6-4-7(10)9-8(5-6)11-2-3-12-9/h4-5H,2-3H2,1H3.
What are the key properties of 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine?
5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 184.62 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 20765776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).