2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol

C24H32O6 — CID 145041957

IUPAC2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol
SMILESCCOc1ccc(Cc2cc(C3CC(O)CC(CO)O3)c(OCC)cc2OC)cc1
InChIInChI=1S/C24H32O6/c1-4-28-19-8-6-16(7-9-19)10-17-11-21(23(29-5-2)14-22(17)27-3)24-13-18(26)12-20(15-25)30-24/h6-9,11,14,18,20,24-26H,4-5,10,12-13,15H2,1-3H3
InChIKeyVDRRQYAILISOTA-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.66
Rot. Bonds9

About 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol

2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol (PubChem CID 145041957) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol
PubChem CID145041957
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol
SMILESCCOc1ccc(Cc2cc(C3CC(O)CC(CO)O3)c(OCC)cc2OC)cc1
InChIInChI=1S/C24H32O6/c1-4-28-19-8-6-16(7-9-19)10-17-11-21(23(29-5-2)14-22(17)27-3)24-13-18(26)12-20(15-25)30-24/h6-9,11,14,18,20,24-26H,4-5,10,12-13,15H2,1-3H3
InChIKeyVDRRQYAILISOTA-UHFFFAOYSA-N
XLogP3.66
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol 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

ethane;2-[6-[(4-ethoxyphenyl)methyl]-7-methyl-1,3-benzodioxol-4-yl]-6-(hydroxymethyl)oxan-4-ol
CID 145430673
2-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl)-2-(fluoromethoxy)-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 134512315
2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane
CID 143981727
(2R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;methanol
CID 144726733
2-[4-chloro-5-[(4-ethoxyphenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]-6-(hydroxymethyl)oxan-4-ol
CID 137410082
(3S)-6-[4-chloro-5-[(4-ethoxyphenyl)methyl]-2-methoxyphenyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 145042064
2-[4-bromo-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol
CID 123569394
2-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl)-2-methoxy-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 134512504
(2R,6R)-6-[4-chloro-5-[(4-ethoxyphenyl)methyl]-2-methoxyphenyl]-4-hydroxy-2-(hydroxymethyl)oxan-3-one
CID 118974025
[(2S,4R,6R)-6-[2,4-dimethoxy-5-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-4-fluorooxan-2-yl]methanol
CID 118973690
2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol
CID 155031713
2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-propyloxan-4-ol;ethane
CID 143959113

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol (CID 145041957) is 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol is CCOc1ccc(Cc2cc(C3CC(O)CC(CO)O3)c(OCC)cc2OC)cc1.
What is the InChIKey of 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is VDRRQYAILISOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O6/c1-4-28-19-8-6-16(7-9-19)10-17-11-21(23(29-5-2)14-22(17)27-3)24-13-18(26)12-20(15-25)30-24/h6-9,11,14,18,20,24-26H,4-5,10,12-13,15H2,1-3H3.
What are the key properties of 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol?
2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 416.51 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 145041957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).