[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate

C21H34O6 — CID 59464443

IUPAC[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate
SMILESCOC(C)c1ccc(COCC(C)COCC(O)COC(=O)C(C)C)cc1
InChIInChI=1S/C21H34O6/c1-15(2)21(23)27-14-20(22)13-26-11-16(3)10-25-12-18-6-8-19(9-7-18)17(4)24-5/h6-9,15-17,20,22H,10-14H2,1-5H3
InChIKeyVRXWDOGNANWCAF-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.12
Rot. Bonds13

About [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate

[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate (PubChem CID 59464443) has the molecular formula C21H34O6 and a molecular weight of 382.50 g/mol. Its IUPAC name is [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate
PubChem CID59464443
Molecular FormulaC21H34O6
Molecular Weight382.50 g/mol
Exact Mass382.24
IUPAC Name[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate
SMILESCOC(C)c1ccc(COCC(C)COCC(O)COC(=O)C(C)C)cc1
InChIInChI=1S/C21H34O6/c1-15(2)21(23)27-14-20(22)13-26-11-16(3)10-25-12-18-6-8-19(9-7-18)17(4)24-5/h6-9,15-17,20,22H,10-14H2,1-5H3
InChIKeyVRXWDOGNANWCAF-UHFFFAOYSA-N
XLogP3.12
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate with MolForge

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Related Compounds

[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropyl] 2-phenylpropanoate
CID 59464519
1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene
CID 59464469
[3-[2-hydroxy-3-(2-methylpropanoyloxy)propoxy]-2-methylpropyl] 2-bromo-3-phenylbutanoate
CID 59464473
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
[2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate
CID 59464453
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
4-[(3-fluoro-2-methylpropoxy)methyl]benzoic acid
CID 172841367
(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate
CID 132559738

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate?
The IUPAC name of [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate (CID 59464443) is [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate.
What is the SMILES notation for [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate?
The canonical SMILES for [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate is COC(C)c1ccc(COCC(C)COCC(O)COC(=O)C(C)C)cc1.
What is the InChIKey of [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate?
The InChIKey is VRXWDOGNANWCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O6/c1-15(2)21(23)27-14-20(22)13-26-11-16(3)10-25-12-18-6-8-19(9-7-18)17(4)24-5/h6-9,15-17,20,22H,10-14H2,1-5H3.
What are the key properties of [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate?
[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate has a molecular weight of 382.50 g/mol, XLogP of 3.12, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate is sourced from PubChem (CID 59464443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).