4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one

C18H12O4 — CID 134716325

IUPAC4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one
SMILESO=C1CCc2cc(Oc3cc(=O)oc4ccccc34)ccc21
InChIInChI=1S/C18H12O4/c19-15-8-5-11-9-12(6-7-13(11)15)21-17-10-18(20)22-16-4-2-1-3-14(16)17/h1-4,6-7,9-10H,5,8H2
InChIKeyVTMVDNJUKUIJCW-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.71
Rot. Bonds2

About 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one

4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one (PubChem CID 134716325) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one.

Molecular Properties

Compound Name4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one
PubChem CID134716325
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one
SMILESO=C1CCc2cc(Oc3cc(=O)oc4ccccc34)ccc21
InChIInChI=1S/C18H12O4/c19-15-8-5-11-9-12(6-7-13(11)15)21-17-10-18(20)22-16-4-2-1-3-14(16)17/h1-4,6-7,9-10H,5,8H2
InChIKeyVTMVDNJUKUIJCW-UHFFFAOYSA-N
XLogP3.71
TPSA56.51 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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 121429839
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4-[4-[(4-methoxyphenyl)methylideneamino]phenoxy]chromen-2-one
CID 139236981
4-[4-[(4-chlorophenyl)methylideneamino]phenoxy]chromen-2-one
CID 139236986
4-ethoxychromen-2-one
CID 688703
6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 118606522
5-(4-methylsulfonyl-2-nitrophenoxy)-2,3-dihydroinden-1-one
CID 133486345
5-(4,5-dimethoxy-2-nitrophenoxy)-2,3-dihydroinden-1-one
CID 133486449
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
(2-oxochromen-4-yl) 4-propan-2-yloxybenzoate
CID 888914
(2-oxochromen-4-yl) phenylmethanesulfonate
CID 138404222

Frequently Asked Questions

What is the IUPAC name of 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one?
The IUPAC name of 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one (CID 134716325) is 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one.
What is the SMILES notation for 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one?
The canonical SMILES for 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one is O=C1CCc2cc(Oc3cc(=O)oc4ccccc34)ccc21.
What is the InChIKey of 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one?
The InChIKey is VTMVDNJUKUIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c19-15-8-5-11-9-12(6-7-13(11)15)21-17-10-18(20)22-16-4-2-1-3-14(16)17/h1-4,6-7,9-10H,5,8H2.
What are the key properties of 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one?
4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one has a molecular weight of 292.29 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-oxo-2,3-dihydroinden-5-yl)oxy]chromen-2-one is sourced from PubChem (CID 134716325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).