6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one

C18H12O4 — CID 135027990

IUPAC6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one
SMILESC=CC1Oc2ccccc2-c2oc3cc(O)ccc3c(=O)c21
InChIInChI=1S/C18H12O4/c1-2-13-16-17(20)11-8-7-10(19)9-15(11)22-18(16)12-5-3-4-6-14(12)21-13/h2-9,13,19H,1H2
InChIKeyWMUUXDZTGKJBIG-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.79
Rot. Bonds1

About 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one

6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one (PubChem CID 135027990) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one.

Molecular Properties

Compound Name6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one
PubChem CID135027990
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one
SMILESC=CC1Oc2ccccc2-c2oc3cc(O)ccc3c(=O)c21
InChIInChI=1S/C18H12O4/c1-2-13-16-17(20)11-8-7-10(19)9-15(11)22-18(16)12-5-3-4-6-14(12)21-13/h2-9,13,19H,1H2
InChIKeyWMUUXDZTGKJBIG-UHFFFAOYSA-N
XLogP3.79
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-2-(2-hydroxyphenyl)-3-prop-2-enylchromen-4-one
CID 135027989
2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
CID 153409103
3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
CID 10315987
7-hydroxy-2-methyl-3-(2-phenylphenoxy)chromen-4-one
CID 7140080
(3E)-3-benzylidene-6-hydroxy-1,2-dihydrocyclopenta[b]chromen-9-one
CID 13375265
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
CID 141051987
(6S)-6-octadecyl-6H-chromeno[4,3-b]chromen-7-one
CID 162820158
7-hydroxy-2-methoxy-3-(2-methoxyphenyl)chromen-4-one
CID 20514160
2-[2-[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4,5-trihydroxyphenyl]-3,7-dihydroxychromen-4-one
CID 163184579
3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one
CID 25108248
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one?
The IUPAC name of 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one (CID 135027990) is 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one.
What is the SMILES notation for 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one?
The canonical SMILES for 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one is C=CC1Oc2ccccc2-c2oc3cc(O)ccc3c(=O)c21.
What is the InChIKey of 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one?
The InChIKey is WMUUXDZTGKJBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c1-2-13-16-17(20)11-8-7-10(19)9-15(11)22-18(16)12-5-3-4-6-14(12)21-13/h2-9,13,19H,1H2.
What are the key properties of 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one?
6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one has a molecular weight of 292.29 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one is sourced from PubChem (CID 135027990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).