2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one

C18H12O4 — CID 77393328

IUPAC2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one
SMILESO=c1cc(C=Cc2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C18H12O4/c19-15-10-13(22-16-4-2-1-3-14(15)16)7-5-12-6-8-17-18(9-12)21-11-20-17/h1-10H,11H2
InChIKeyAPULSJXQJKBMJC-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.69
Rot. Bonds2

About 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one

2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one (PubChem CID 77393328) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one
PubChem CID77393328
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one
SMILESO=c1cc(C=Cc2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C18H12O4/c19-15-10-13(22-16-4-2-1-3-14(15)16)7-5-12-6-8-17-18(9-12)21-11-20-17/h1-10H,11H2
InChIKeyAPULSJXQJKBMJC-UHFFFAOYSA-N
XLogP3.69
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenyl)ethenyl]chromen-4-one
CID 77393330
2-[(E)-2-(4-hydroxyphenyl)ethenyl]chromen-4-one
CID 6479061
2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-one
CID 67991191
2-(2-pyridin-3-ylethenyl)chromen-4-one
CID 85443659
3-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-hydroxychromen-2-one
CID 54715835
2-[(E)-2-(furan-2-yl)ethenyl]chromen-4-one
CID 10879170
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one
CID 11499910
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal
CID 5374493
3-(1,3-benzodioxol-5-yl)-2-[2-(1,3-benzodioxol-5-yl)ethenyl]quinazolin-4-one
CID 3135733
3-[[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 16814881
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline;hydrochloride
CID 163332896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one (CID 77393328) is 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one is O=c1cc(C=Cc2ccc3c(c2)OCO3)oc2ccccc12.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one?
The InChIKey is APULSJXQJKBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c19-15-10-13(22-16-4-2-1-3-14(15)16)7-5-12-6-8-17-18(9-12)21-11-20-17/h1-10H,11H2.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one?
2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one has a molecular weight of 292.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)ethenyl]chromen-4-one is sourced from PubChem (CID 77393328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).