7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

C23H27NO5 — CID 54675067

IUPAC7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESCCN(CC)CCCCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1
InChIInChI=1S/C23H27NO5/c1-3-24(4-2)11-5-6-12-28-18-13-20(26)22-21(14-18)29-15-19(23(22)27)16-7-9-17(25)10-8-16/h7-10,13-15,25-26H,3-6,11-12H2,1-2H3
InChIKeyQESLWZFHJYKHOG-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.37
Rot. Bonds9

About 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 54675067) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID54675067
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESCCN(CC)CCCCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1
InChIInChI=1S/C23H27NO5/c1-3-24(4-2)11-5-6-12-28-18-13-20(26)22-21(14-18)29-15-19(23(22)27)16-7-9-17(25)10-8-16/h7-10,13-15,25-26H,3-6,11-12H2,1-2H3
InChIKeyQESLWZFHJYKHOG-UHFFFAOYSA-N
XLogP4.37
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)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

3-[4-(4-bromobutoxy)phenyl]-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 141260005
5-hydroxy-3-(4-hydroxyphenyl)-7-(3-imidazol-1-ylpropoxy)chromen-4-one
CID 24971216
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299
tert-butyl 2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 67521570
7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 25061265
CID 66722646
CID 66722646
5-[7-(2-bromoethoxy)-5-hydroxy-4-oxochromen-3-yl]-2-hydroxybenzenesulfonic acid
CID 141070425
5-hydroxy-7-octoxy-3-[4-[2,3,4-trihydroxy-1-(2-hydroxyethoxy)pentoxy]phenyl]chromen-4-one
CID 22696566
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
CID 71664178
7-[4-(4-benzylpiperazin-1-yl)butoxy]-3-[4-[4-(4-benzylpiperazin-1-yl)butoxy]phenyl]-5-hydroxychromen-4-one
CID 162676067
7-ethoxy-5-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 99975686

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one (CID 54675067) is 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one is CCN(CC)CCCCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1.
What is the InChIKey of 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is QESLWZFHJYKHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-3-24(4-2)11-5-6-12-28-18-13-20(26)22-21(14-18)29-15-19(23(22)27)16-7-9-17(25)10-8-16/h7-10,13-15,25-26H,3-6,11-12H2,1-2H3.
What are the key properties of 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 397.47 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 54675067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).