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

C16H14O3 — CID 43338806

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C16H14O3/c1-11-6-8-12(9-7-11)16(17)15-10-18-13-4-2-3-5-14(13)19-15/h2-9,15H,10H2,1H3
InChIKeyNCVZXYWMIAIFFI-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.02
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone (PubChem CID 43338806) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
PubChem CID43338806
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2COc3ccccc3O2)cc1
InChIInChI=1S/C16H14O3/c1-11-6-8-12(9-7-11)16(17)15-10-18-13-4-2-3-5-14(13)19-15/h2-9,15H,10H2,1H3
InChIKeyNCVZXYWMIAIFFI-UHFFFAOYSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-3-methylphenyl)methanone
CID 65351117
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 65351066
2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161080
2,3-dihydro-1,4-benzoxathiin-2-yl-(4-methylphenyl)methanone
CID 106600800
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
(3S)-N-[(S)-(4-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8798310
[2-methyl-4-(4-methylphenyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2448069
N'-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 3143898
N-[(4-methylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2837155
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzoate
CID 2318276
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone (CID 43338806) is 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2COc3ccccc3O2)cc1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone?
The InChIKey is NCVZXYWMIAIFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-6-8-12(9-7-11)16(17)15-10-18-13-4-2-3-5-14(13)19-15/h2-9,15H,10H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone has a molecular weight of 254.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 43338806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).