7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one

C14H17NO3 — CID 110174145

IUPAC7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
SMILESCc1cc(=O)c2ccc(OCCN(C)C)cc2o1
InChIInChI=1S/C14H17NO3/c1-10-8-13(16)12-5-4-11(9-14(12)18-10)17-7-6-15(2)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyLRAJPGMDYKJROP-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.04
Rot. Bonds4

About 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one

7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one (PubChem CID 110174145) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one.

Molecular Properties

Compound Name7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
PubChem CID110174145
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
SMILESCc1cc(=O)c2ccc(OCCN(C)C)cc2o1
InChIInChI=1S/C14H17NO3/c1-10-8-13(16)12-5-4-11(9-14(12)18-10)17-7-6-15(2)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyLRAJPGMDYKJROP-UHFFFAOYSA-N
XLogP2.04
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
CID 59086251
2,7-dimethylchromen-4-one
CID 2343140
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
CID 142069060
3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
CID 154225288
2-methyl-7-sulfanylchromen-4-one
CID 15171696
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
CID 163472505
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one
CID 57439762
4-[3-(dimethylamino)propoxy]-7-methoxychromen-2-one;hydrochloride
CID 87594139

Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one?
The IUPAC name of 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one (CID 110174145) is 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one.
What is the SMILES notation for 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one?
The canonical SMILES for 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one is Cc1cc(=O)c2ccc(OCCN(C)C)cc2o1.
What is the InChIKey of 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one?
The InChIKey is LRAJPGMDYKJROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-8-13(16)12-5-4-11(9-14(12)18-10)17-7-6-15(2)3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one?
7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one has a molecular weight of 247.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one is sourced from PubChem (CID 110174145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).