2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane

C20H23NO4 — CID 145235878

IUPAC2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
SMILESCC.COc1ccc(COc2ccc3c(=O)cc(CN)oc3c2)cc1
InChIInChI=1S/C18H17NO4.C2H6/c1-21-13-4-2-12(3-5-13)11-22-14-6-7-16-17(20)8-15(10-19)23-18(16)9-14;1-2/h2-9H,10-11,19H2,1H3;1-2H3
InChIKeyDOROSZOIGIOOQH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.87
Rot. Bonds5

About 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane

2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane (PubChem CID 145235878) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane.

Molecular Properties

Compound Name2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
PubChem CID145235878
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
SMILESCC.COc1ccc(COc2ccc3c(=O)cc(CN)oc3c2)cc1
InChIInChI=1S/C18H17NO4.C2H6/c1-21-13-4-2-12(3-5-13)11-22-14-6-7-16-17(20)8-15(10-19)23-18(16)9-14;1-2/h2-9H,10-11,19H2,1H3;1-2H3
InChIKeyDOROSZOIGIOOQH-UHFFFAOYSA-N
XLogP3.87
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
CID 82020833
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one
CID 150397012
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
2-ethyl-7-methoxychromen-4-one
CID 10013150
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
2-(3-chloropropyl)-7-methoxychromen-4-one
CID 134910908
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
3-[7-[(4-methoxyphenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid
CID 2927077

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane?
The IUPAC name of 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane (CID 145235878) is 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane.
What is the SMILES notation for 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane?
The canonical SMILES for 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane is CC.COc1ccc(COc2ccc3c(=O)cc(CN)oc3c2)cc1.
What is the InChIKey of 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane?
The InChIKey is DOROSZOIGIOOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4.C2H6/c1-21-13-4-2-12(3-5-13)11-22-14-6-7-16-17(20)8-15(10-19)23-18(16)9-14;1-2/h2-9H,10-11,19H2,1H3;1-2H3.
What are the key properties of 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane?
2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane has a molecular weight of 341.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane is sourced from PubChem (CID 145235878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).