2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol

C25H36O6 — CID 118922512

IUPAC2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol
SMILESCCC(c1c(CO)c(C)cc(C)c1OCCO)c1c(OC)c(C)cc(C)c1OCCO
InChIInChI=1S/C25H36O6/c1-7-19(21-20(14-28)15(2)12-17(4)24(21)30-10-8-26)22-23(29-6)16(3)13-18(5)25(22)31-11-9-27/h12-13,19,26-28H,7-11,14H2,1-6H3
InChIKeyVAPYPBTUKKHQAA-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.71
Rot. Bonds11

About 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol

2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol (PubChem CID 118922512) has the molecular formula C25H36O6 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol
PubChem CID118922512
Molecular FormulaC25H36O6
Molecular Weight432.56 g/mol
Exact Mass432.25
IUPAC Name2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol
SMILESCCC(c1c(CO)c(C)cc(C)c1OCCO)c1c(OC)c(C)cc(C)c1OCCO
InChIInChI=1S/C25H36O6/c1-7-19(21-20(14-28)15(2)12-17(4)24(21)30-10-8-26)22-23(29-6)16(3)13-18(5)25(22)31-11-9-27/h12-13,19,26-28H,7-11,14H2,1-6H3
InChIKeyVAPYPBTUKKHQAA-UHFFFAOYSA-N
XLogP3.71
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol with MolForge

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Related Compounds

(2,3-dimethoxy-4,6-dimethylphenyl)methanol
CID 84666963
2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol
CID 174987641
[4-[(4-methoxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl]methanol
CID 158830196
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol
CID 138551132
2-(2-hydroxyethoxy)-3,6-dimethylphenol
CID 130131096
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
CID 116861375
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]ethanol
CID 21257879
2-(2-chloro-6-methoxy-3,5-dimethylphenyl)ethanol
CID 117306109
(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
CID 84706876
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol?
The IUPAC name of 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol (CID 118922512) is 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol.
What is the SMILES notation for 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol?
The canonical SMILES for 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol is CCC(c1c(CO)c(C)cc(C)c1OCCO)c1c(OC)c(C)cc(C)c1OCCO.
What is the InChIKey of 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol?
The InChIKey is VAPYPBTUKKHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O6/c1-7-19(21-20(14-28)15(2)12-17(4)24(21)30-10-8-26)22-23(29-6)16(3)13-18(5)25(22)31-11-9-27/h12-13,19,26-28H,7-11,14H2,1-6H3.
What are the key properties of 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol?
2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol has a molecular weight of 432.56 g/mol, XLogP of 3.71, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol is sourced from PubChem (CID 118922512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).