5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one

C26H31NO5 — CID 71451105

IUPAC5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one
SMILESO=c1c(CN(CCO)Cc2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12
InChIInChI=1S/C26H31NO5/c28-14-13-27(15-19-9-11-22(29)12-10-19)16-21-18-32-24-8-4-7-23(25(24)26(21)30)31-17-20-5-2-1-3-6-20/h4,7-12,18,20,28-29H,1-3,5-6,13-17H2
InChIKeyGYKLAJKYSFJKJS-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.45
Rot. Bonds9

About 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one

5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one (PubChem CID 71451105) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one
PubChem CID71451105
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one
SMILESO=c1c(CN(CCO)Cc2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12
InChIInChI=1S/C26H31NO5/c28-14-13-27(15-19-9-11-22(29)12-10-19)16-21-18-32-24-8-4-7-23(25(24)26(21)30)31-17-20-5-2-1-3-6-20/h4,7-12,18,20,28-29H,1-3,5-6,13-17H2
InChIKeyGYKLAJKYSFJKJS-UHFFFAOYSA-N
XLogP4.45
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one?
The IUPAC name of 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one (CID 71451105) is 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one.
What is the SMILES notation for 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one?
The canonical SMILES for 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one is O=c1c(CN(CCO)Cc2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12.
What is the InChIKey of 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one?
The InChIKey is GYKLAJKYSFJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c28-14-13-27(15-19-9-11-22(29)12-10-19)16-21-18-32-24-8-4-7-23(25(24)26(21)30)31-17-20-5-2-1-3-6-20/h4,7-12,18,20,28-29H,1-3,5-6,13-17H2.
What are the key properties of 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one?
5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one has a molecular weight of 437.54 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one is sourced from PubChem (CID 71451105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).