2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone

C16H13FO3 — CID 65351066

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C16H13FO3/c1-10-6-7-12(17)11(8-10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-8,15H,9H2,1H3
InChIKeyMOMYSGHSHXJCPK-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.16
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone

2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone (PubChem CID 65351066) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
PubChem CID65351066
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C16H13FO3/c1-10-6-7-12(17)11(8-10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-8,15H,9H2,1H3
InChIKeyMOMYSGHSHXJCPK-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-3-methylphenyl)methanone
CID 65351117
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806
(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 107475799
(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 65351116
2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone
CID 43338535
N-(2-amino-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115912259
(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 43344746
(3S)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 135557570
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanol
CID 65351033
2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
CID 65351114
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methanone
CID 43010619

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone (CID 65351066) is 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is MOMYSGHSHXJCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-10-6-7-12(17)11(8-10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-8,15H,9H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 272.28 g/mol, XLogP of 3.16, 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-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 65351066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).