4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one

C16H20O5 — CID 54690507

IUPAC4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one
SMILESCC(C)Oc1c(O)c2cccc(OC(C)(C)C)c2oc1=O
InChIInChI=1S/C16H20O5/c1-9(2)19-14-12(17)10-7-6-8-11(21-16(3,4)5)13(10)20-15(14)18/h6-9,17H,1-5H3
InChIKeyUKOWWIMTLRRNRG-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.46
Rot. Bonds3

About 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one

4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one (PubChem CID 54690507) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one.

Molecular Properties

Compound Name4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one
PubChem CID54690507
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one
SMILESCC(C)Oc1c(O)c2cccc(OC(C)(C)C)c2oc1=O
InChIInChI=1S/C16H20O5/c1-9(2)19-14-12(17)10-7-6-8-11(21-16(3,4)5)13(10)20-15(14)18/h6-9,17H,1-5H3
InChIKeyUKOWWIMTLRRNRG-UHFFFAOYSA-N
XLogP3.46
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one?
The IUPAC name of 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one (CID 54690507) is 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one.
What is the SMILES notation for 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one?
The canonical SMILES for 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one is CC(C)Oc1c(O)c2cccc(OC(C)(C)C)c2oc1=O.
What is the InChIKey of 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one?
The InChIKey is UKOWWIMTLRRNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-9(2)19-14-12(17)10-7-6-8-11(21-16(3,4)5)13(10)20-15(14)18/h6-9,17H,1-5H3.
What are the key properties of 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one?
4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one has a molecular weight of 292.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxychromen-2-one is sourced from PubChem (CID 54690507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).