2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one

C18H17NO5 — CID 10019325

IUPAC2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(N)cc3)cc(=O)c2c(OC)c1OC
InChIInChI=1S/C18H17NO5/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-9H,19H2,1-3H3
InChIKeyLQPSNJXIAJVHLL-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one

2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one (PubChem CID 10019325) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one
PubChem CID10019325
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(N)cc3)cc(=O)c2c(OC)c1OC
InChIInChI=1S/C18H17NO5/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-9H,19H2,1-3H3
InChIKeyLQPSNJXIAJVHLL-UHFFFAOYSA-N
XLogP3.07
TPSA83.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one (CID 10019325) is 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one is COc1cc2oc(-c3ccc(N)cc3)cc(=O)c2c(OC)c1OC.
What is the InChIKey of 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one?
The InChIKey is LQPSNJXIAJVHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-9H,19H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one?
2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one has a molecular weight of 327.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5,6,7-trimethoxychromen-4-one is sourced from PubChem (CID 10019325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).