2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one

C20H21NO5 — CID 155521702

IUPAC2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one
SMILESCCN(CC)c1ccc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc1
InChIInChI=1S/C20H21NO5/c1-4-21(5-2)13-8-6-12(7-9-13)17-11-15(23)18-14(22)10-16(24)19(25-3)20(18)26-17/h6-11,22,24H,4-5H2,1-3H3
InChIKeyBJEKBWQXDKBJEP-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.73
Rot. Bonds5

About 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one

2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one (PubChem CID 155521702) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one
PubChem CID155521702
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one
SMILESCCN(CC)c1ccc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc1
InChIInChI=1S/C20H21NO5/c1-4-21(5-2)13-8-6-12(7-9-13)17-11-15(23)18-14(22)10-16(24)19(25-3)20(18)26-17/h6-11,22,24H,4-5H2,1-3H3
InChIKeyBJEKBWQXDKBJEP-UHFFFAOYSA-N
XLogP3.73
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one (CID 155521702) is 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one is CCN(CC)c1ccc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one?
The InChIKey is BJEKBWQXDKBJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-4-21(5-2)13-8-6-12(7-9-13)17-11-15(23)18-14(22)10-16(24)19(25-3)20(18)26-17/h6-11,22,24H,4-5H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one?
2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one has a molecular weight of 355.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one is sourced from PubChem (CID 155521702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).