3-(4-oxochromen-3-yl)isochromen-1-one

C18H10O4 — CID 166523801

IUPAC3-(4-oxochromen-3-yl)isochromen-1-one
SMILESO=c1oc(-c2coc3ccccc3c2=O)cc2ccccc12
InChIInChI=1S/C18H10O4/c19-17-13-7-3-4-8-15(13)21-10-14(17)16-9-11-5-1-2-6-12(11)18(20)22-16/h1-10H
InChIKeyRMEMWZSKWPMONE-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.57
Rot. Bonds1

About 3-(4-oxochromen-3-yl)isochromen-1-one

3-(4-oxochromen-3-yl)isochromen-1-one (PubChem CID 166523801) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-(4-oxochromen-3-yl)isochromen-1-one.

Molecular Properties

Compound Name3-(4-oxochromen-3-yl)isochromen-1-one
PubChem CID166523801
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Name3-(4-oxochromen-3-yl)isochromen-1-one
SMILESO=c1oc(-c2coc3ccccc3c2=O)cc2ccccc12
InChIInChI=1S/C18H10O4/c19-17-13-7-3-4-8-15(13)21-10-14(17)16-9-11-5-1-2-6-12(11)18(20)22-16/h1-10H
InChIKeyRMEMWZSKWPMONE-UHFFFAOYSA-N
XLogP3.57
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-1-ylisochromen-1-one
CID 46868593
3-phenylchromen-4-one;phosphane
CID 174413449
ethane;3-phenylchromen-4-one
CID 90946880
3-(2,5-difluorophenyl)chromen-4-one
CID 141334280
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
3-(cyclopenten-1-yl)chromen-4-one
CID 134986957
3-(2-chloro-5-methylphenyl)chromen-4-one
CID 141334254
3-(4-amino-2-fluorophenyl)chromen-4-one
CID 167449525
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
3-(3-chloro-4-fluorophenyl)isochromen-1-one
CID 57387765
CID 143974471
CID 143974471
3-[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]chromen-2-one
CID 177419808

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxochromen-3-yl)isochromen-1-one?
The IUPAC name of 3-(4-oxochromen-3-yl)isochromen-1-one (CID 166523801) is 3-(4-oxochromen-3-yl)isochromen-1-one.
What is the SMILES notation for 3-(4-oxochromen-3-yl)isochromen-1-one?
The canonical SMILES for 3-(4-oxochromen-3-yl)isochromen-1-one is O=c1oc(-c2coc3ccccc3c2=O)cc2ccccc12.
What is the InChIKey of 3-(4-oxochromen-3-yl)isochromen-1-one?
The InChIKey is RMEMWZSKWPMONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-17-13-7-3-4-8-15(13)21-10-14(17)16-9-11-5-1-2-6-12(11)18(20)22-16/h1-10H.
What are the key properties of 3-(4-oxochromen-3-yl)isochromen-1-one?
3-(4-oxochromen-3-yl)isochromen-1-one has a molecular weight of 290.27 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxochromen-3-yl)isochromen-1-one is sourced from PubChem (CID 166523801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).