(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

C16H13ClO3 — CID 106860734

IUPAC(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCc1ccc(C(=O)c2ccc3c(c2)OCCO3)c(Cl)c1
InChIInChI=1S/C16H13ClO3/c1-10-2-4-12(13(17)8-10)16(18)11-3-5-14-15(9-11)20-7-6-19-14/h2-5,8-9H,6-7H2,1H3
InChIKeyGMOPGKWJVBCOKY-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.65
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (PubChem CID 106860734) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
PubChem CID106860734
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCc1ccc(C(=O)c2ccc3c(c2)OCCO3)c(Cl)c1
InChIInChI=1S/C16H13ClO3/c1-10-2-4-12(13(17)8-10)16(18)11-3-5-14-15(9-11)20-7-6-19-14/h2-5,8-9H,6-7H2,1H3
InChIKeyGMOPGKWJVBCOKY-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone 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

(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylphenyl)methanone
CID 43340633
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82294568
(2-amino-4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116591847
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone
CID 63840653
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106865225
2,3-dihydro-1,4-benzodioxin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 79757453
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluorophenyl)methanone
CID 766923
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 62538671

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CID 106860734) is (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is Cc1ccc(C(=O)c2ccc3c(c2)OCCO3)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The InChIKey is GMOPGKWJVBCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-10-2-4-12(13(17)8-10)16(18)11-3-5-14-15(9-11)20-7-6-19-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone has a molecular weight of 288.73 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is sourced from PubChem (CID 106860734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).