6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one

C17H11ClO4 — CID 683499

IUPAC6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
SMILESO=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc(Cl)cc12
InChIInChI=1S/C17H11ClO4/c18-11-2-4-14-12(8-11)13(19)9-16(22-14)10-1-3-15-17(7-10)21-6-5-20-15/h1-4,7-9H,5-6H2
InChIKeyFIBFCFXKLQHQRC-UHFFFAOYSA-N
MW314.72 g/mol
LogP3.88
Rot. Bonds1

About 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one

6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one (PubChem CID 683499) has the molecular formula C17H11ClO4 and a molecular weight of 314.72 g/mol. Its IUPAC name is 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
PubChem CID683499
Molecular FormulaC17H11ClO4
Molecular Weight314.72 g/mol
Exact Mass314.03
IUPAC Name6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
SMILESO=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc(Cl)cc12
InChIInChI=1S/C17H11ClO4/c18-11-2-4-14-12(8-11)13(19)9-16(22-14)10-1-3-15-17(7-10)21-6-5-20-15/h1-4,7-9H,5-6H2
InChIKeyFIBFCFXKLQHQRC-UHFFFAOYSA-N
XLogP3.88
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3',4'-Dimethoxyflavone
CID 688674
6,3',4'-Trimethoxyflavanone
CID 2922801
4H-1-Benzopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-, (E)-
CID 838793
2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-methylchroman-4-one
CID 3654626
6-Chloroflavanone
CID 236618
6-chloro-2-(4-methoxyphenyl)-4H-chromen-4-one
CID 678256
3,3',4'-Trimethoxyflavone
CID 1696333
(2E)-1-(5-chloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 5709228
2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-7-methylchroman-4-one
CID 3470461
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-one
CID 3745584
6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 6181973
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 6214049

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one?
The IUPAC name of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one (CID 683499) is 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one?
The canonical SMILES for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one is O=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one?
The InChIKey is FIBFCFXKLQHQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO4/c18-11-2-4-14-12(8-11)13(19)9-16(22-14)10-1-3-15-17(7-10)21-6-5-20-15/h1-4,7-9H,5-6H2.
What are the key properties of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one?
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one has a molecular weight of 314.72 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one is sourced from PubChem (CID 683499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).