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

C16H13FO4 — CID 105125143

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C16H13FO4/c1-19-13-6-5-10(17)9-12(13)15(18)11-3-2-4-14-16(11)21-8-7-20-14/h2-6,9H,7-8H2,1H3
InChIKeyISBVDUHXKVWBSF-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.84
Rot. Bonds3

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

2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 105125143) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID105125143
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1cccc2c1OCCO2
InChIInChI=1S/C16H13FO4/c1-19-13-6-5-10(17)9-12(13)15(18)11-3-2-4-14-16(11)21-8-7-20-14/h2-6,9H,7-8H2,1H3
InChIKeyISBVDUHXKVWBSF-UHFFFAOYSA-N
XLogP2.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
2,3-dihydro-1,4-benzodioxin-5-yl-(2,5-dimethylphenyl)methanone
CID 105085688
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoro-2-methoxyaniline
CID 61036848
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 155977100
(2-amino-6-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 81413910
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone (CID 105125143) is 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1cccc2c1OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is ISBVDUHXKVWBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-19-13-6-5-10(17)9-12(13)15(18)11-3-2-4-14-16(11)21-8-7-20-14/h2-6,9H,7-8H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone?
2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 288.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 105125143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).