6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one

C24H29NO4 — CID 14982977

IUPAC6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
SMILESCN(CCO)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C24H29NO4/c1-25(14-15-26)13-7-2-3-8-16-28-20-11-12-23-21(17-20)22(27)18-24(29-23)19-9-5-4-6-10-19/h4-6,9-12,17-18,26H,2-3,7-8,13-16H2,1H3
InChIKeyGIIVHFWCPKIQJN-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.32
Rot. Bonds11

About 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one

6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one (PubChem CID 14982977) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
PubChem CID14982977
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
SMILESCN(CCO)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C24H29NO4/c1-25(14-15-26)13-7-2-3-8-16-28-20-11-12-23-21(17-20)22(27)18-24(29-23)19-9-5-4-6-10-19/h4-6,9-12,17-18,26H,2-3,7-8,13-16H2,1H3
InChIKeyGIIVHFWCPKIQJN-UHFFFAOYSA-N
XLogP4.32
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
7-[4-[benzyl(methyl)amino]butoxy]-2-[4-(dimethylamino)phenyl]chromen-4-one
CID 72697193
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
[3-[[methyl-[3-(4-oxo-2-phenylchromen-7-yl)oxypropyl]amino]methyl]phenyl] N-methylcarbamate;hydrochloride
CID 23645340
2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
CID 44590881
2-[4-[6-[benzyl(methyl)amino]hexoxy]phenyl]-5,6,7-trimethoxychromen-4-one
CID 122177812
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2-[2-(dimethylamino)ethoxy]ethanol;2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]chromen-4-one;methane
CID 161225151

Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one (CID 14982977) is 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one is CN(CCO)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one?
The InChIKey is GIIVHFWCPKIQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-25(14-15-26)13-7-2-3-8-16-28-20-11-12-23-21(17-20)22(27)18-24(29-23)19-9-5-4-6-10-19/h4-6,9-12,17-18,26H,2-3,7-8,13-16H2,1H3.
What are the key properties of 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one?
6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one has a molecular weight of 395.50 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 14982977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).