(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate

C16H24O4 — CID 78790842

IUPAC(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate
SMILESCCCC(C)C(=O)OCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C16H24O4/c1-5-7-12(3)16(17)20-11-13-8-9-14(19-6-2)15(10-13)18-4/h8-10,12H,5-7,11H2,1-4H3
InChIKeyVWPCHCYPPUFKQK-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.57
Rot. Bonds8

About (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate

(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate (PubChem CID 78790842) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate
PubChem CID78790842
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate
SMILESCCCC(C)C(=O)OCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C16H24O4/c1-5-7-12(3)16(17)20-11-13-8-9-14(19-6-2)15(10-13)18-4/h8-10,12H,5-7,11H2,1-4H3
InChIKeyVWPCHCYPPUFKQK-UHFFFAOYSA-N
XLogP3.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxy-3-methoxyphenyl)methyl hexanoate
CID 78841902
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-methylpentanoate
CID 2372721
(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate
CID 78837074
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
CID 115623406
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate (CID 78790842) is (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate is CCCC(C)C(=O)OCc1ccc(OCC)c(OC)c1.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate?
The InChIKey is VWPCHCYPPUFKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-7-12(3)16(17)20-11-13-8-9-14(19-6-2)15(10-13)18-4/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate?
(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate has a molecular weight of 280.36 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate is sourced from PubChem (CID 78790842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).