4-methyl-8-propan-2-yloxychromen-2-one

C13H14O3 — CID 144546530

IUPAC4-methyl-8-propan-2-yloxychromen-2-one
SMILESCc1cc(=O)oc2c(OC(C)C)cccc12
InChIInChI=1S/C13H14O3/c1-8(2)15-11-6-4-5-10-9(3)7-12(14)16-13(10)11/h4-8H,1-3H3
InChIKeyFNBXXZMESMPQTL-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.89
Rot. Bonds2

About 4-methyl-8-propan-2-yloxychromen-2-one

4-methyl-8-propan-2-yloxychromen-2-one (PubChem CID 144546530) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-methyl-8-propan-2-yloxychromen-2-one.

Molecular Properties

Compound Name4-methyl-8-propan-2-yloxychromen-2-one
PubChem CID144546530
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name4-methyl-8-propan-2-yloxychromen-2-one
SMILESCc1cc(=O)oc2c(OC(C)C)cccc12
InChIInChI=1S/C13H14O3/c1-8(2)15-11-6-4-5-10-9(3)7-12(14)16-13(10)11/h4-8H,1-3H3
InChIKeyFNBXXZMESMPQTL-UHFFFAOYSA-N
XLogP2.89
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-8-phenoxychromen-2-one
CID 86228952
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
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CID 87996295
8-iodo-4-methylchromen-2-one
CID 130067017
4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
CID 4914824
8-[4-(4-fluorophenyl)phthalazin-1-yl]oxy-4-methylchromen-2-one
CID 6408971
1-methyl-4-propan-2-yloxyxanthen-9-one
CID 71575125
(4-methyl-2-oxo-7-propan-2-yloxychromen-8-yl)methyl 4-propylbenzoate
CID 155559591
4-hydroxy-8-methoxy-3-propan-2-yloxychromen-2-one
CID 54690574
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
CID 91296883
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile
CID 7967887

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-propan-2-yloxychromen-2-one?
The IUPAC name of 4-methyl-8-propan-2-yloxychromen-2-one (CID 144546530) is 4-methyl-8-propan-2-yloxychromen-2-one.
What is the SMILES notation for 4-methyl-8-propan-2-yloxychromen-2-one?
The canonical SMILES for 4-methyl-8-propan-2-yloxychromen-2-one is Cc1cc(=O)oc2c(OC(C)C)cccc12.
What is the InChIKey of 4-methyl-8-propan-2-yloxychromen-2-one?
The InChIKey is FNBXXZMESMPQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8(2)15-11-6-4-5-10-9(3)7-12(14)16-13(10)11/h4-8H,1-3H3.
What are the key properties of 4-methyl-8-propan-2-yloxychromen-2-one?
4-methyl-8-propan-2-yloxychromen-2-one has a molecular weight of 218.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-propan-2-yloxychromen-2-one is sourced from PubChem (CID 144546530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).