5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one

C33H39NO7 — CID 122177814

IUPAC5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one
SMILESCOc1ccccc1CN(C)CCCCCCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1
InChIInChI=1S/C33H39NO7/c1-34(22-24-12-8-9-13-27(24)36-2)18-10-6-7-11-19-40-25-16-14-23(15-17-25)28-20-26(35)31-29(41-28)21-30(37-3)32(38-4)33(31)39-5/h8-9,12-17,20-21H,6-7,10-11,18-19,22H2,1-5H3
InChIKeyFJCJWXPTKNWOSL-UHFFFAOYSA-N
MW561.68 g/mol
LogP6.57
Rot. Bonds15

About 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one

5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one (PubChem CID 122177814) has the molecular formula C33H39NO7 and a molecular weight of 561.68 g/mol. Its IUPAC name is 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one
PubChem CID122177814
Molecular FormulaC33H39NO7
Molecular Weight561.68 g/mol
Exact Mass561.27
IUPAC Name5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one
SMILESCOc1ccccc1CN(C)CCCCCCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1
InChIInChI=1S/C33H39NO7/c1-34(22-24-12-8-9-13-27(24)36-2)18-10-6-7-11-19-40-25-16-14-23(15-17-25)28-20-26(35)31-29(41-28)21-30(37-3)32(38-4)33(31)39-5/h8-9,12-17,20-21H,6-7,10-11,18-19,22H2,1-5H3
InChIKeyFJCJWXPTKNWOSL-UHFFFAOYSA-N
XLogP6.57
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[6-[benzyl(methyl)amino]hexoxy]phenyl]-5,6,7-trimethoxychromen-4-one
CID 122177812
2-[4-[4-[ethyl-[(2-methoxyphenyl)methyl]amino]butoxy]phenyl]-5-hydroxy-6,7-dimethoxychromen-4-one
CID 122177820
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
2-[3-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propoxy]phenyl]-5-hydroxy-6,7-dimethoxychromen-4-one
CID 122177846
7-[4-[benzyl(methyl)amino]butoxy]-2-[4-(dimethylamino)phenyl]chromen-4-one
CID 72697193
O-[4-(5,6-dimethoxy-4-oxo-7-phenylmethoxychromen-2-yl)phenyl] methanethioate
CID 19358648
6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
CID 14982977
2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] 4-benzylpiperazine-1-carboxylate
CID 118728182
5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one
CID 10477206

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one?
The IUPAC name of 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one (CID 122177814) is 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one.
What is the SMILES notation for 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one?
The canonical SMILES for 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one is COc1ccccc1CN(C)CCCCCCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1.
What is the InChIKey of 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one?
The InChIKey is FJCJWXPTKNWOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39NO7/c1-34(22-24-12-8-9-13-27(24)36-2)18-10-6-7-11-19-40-25-16-14-23(15-17-25)28-20-26(35)31-29(41-28)21-30(37-3)32(38-4)33(31)39-5/h8-9,12-17,20-21H,6-7,10-11,18-19,22H2,1-5H3.
What are the key properties of 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one?
5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one has a molecular weight of 561.68 g/mol, XLogP of 6.57, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one is sourced from PubChem (CID 122177814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).