7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one

C20H20O4 — CID 8563743

IUPAC7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
SMILESCCOc1ccccc1COc1ccc2c(C)cc(=O)oc2c1C
InChIInChI=1S/C20H20O4/c1-4-22-18-8-6-5-7-15(18)12-23-17-10-9-16-13(2)11-19(21)24-20(16)14(17)3/h5-11H,4,12H2,1-3H3
InChIKeySEGMJYLUGXEATF-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.39
Rot. Bonds5

About 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one

7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one (PubChem CID 8563743) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
PubChem CID8563743
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
SMILESCCOc1ccccc1COc1ccc2c(C)cc(=O)oc2c1C
InChIInChI=1S/C20H20O4/c1-4-22-18-8-6-5-7-15(18)12-23-17-10-9-16-13(2)11-19(21)24-20(16)14(17)3/h5-11H,4,12H2,1-3H3
InChIKeySEGMJYLUGXEATF-UHFFFAOYSA-N
XLogP4.39
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.39
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

4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
CID 969830
4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 18166340
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 800958
4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one
CID 18202513
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(2-ethoxyphenoxy)butanoate
CID 7147642
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
(4,8-dimethyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 8781718
3-[(4,8-dimethyl-2-oxochromen-7-yl)oxymethyl]-1,2,3-benzotriazin-4-one
CID 17452608
4-methyl-7-phenylmethoxy-8-propanoylchromen-2-one
CID 904800
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496

Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one?
The IUPAC name of 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one (CID 8563743) is 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one.
What is the SMILES notation for 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one?
The canonical SMILES for 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one is CCOc1ccccc1COc1ccc2c(C)cc(=O)oc2c1C.
What is the InChIKey of 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one?
The InChIKey is SEGMJYLUGXEATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-4-22-18-8-6-5-7-15(18)12-23-17-10-9-16-13(2)11-19(21)24-20(16)14(17)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one?
7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one has a molecular weight of 324.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one is sourced from PubChem (CID 8563743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).