2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate

C19H30O4 — CID 66702447

IUPAC2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate
SMILESCCCCC(CC)COC(=O)CCc1cc(OC)ccc1OC
InChIInChI=1S/C19H30O4/c1-5-7-8-15(6-2)14-23-19(20)12-9-16-13-17(21-3)10-11-18(16)22-4/h10-11,13,15H,5-9,12,14H2,1-4H3
InChIKeyKAMSXPUYRBZPAQ-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.40
Rot. Bonds11

About 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate

2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate (PubChem CID 66702447) has the molecular formula C19H30O4 and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate
PubChem CID66702447
Molecular FormulaC19H30O4
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate
SMILESCCCCC(CC)COC(=O)CCc1cc(OC)ccc1OC
InChIInChI=1S/C19H30O4/c1-5-7-8-15(6-2)14-23-19(20)12-9-16-13-17(21-3)10-11-18(16)22-4/h10-11,13,15H,5-9,12,14H2,1-4H3
InChIKeyKAMSXPUYRBZPAQ-UHFFFAOYSA-N
XLogP4.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
1-(2,5-dimethoxyphenyl)-3-ethylheptan-1-one
CID 114963735
2-ethylhexyl 2-(2,4,6-trimethoxyphenyl)propanoate
CID 66702132
1,4-dimethoxy-2-(2-octadecylicosyl)benzene
CID 19875610
bis(2-ethylhexyl) 2-(4-methoxyphenyl)propanedioate
CID 57424016
4-O-(4-bromophenyl) 1-O-(2-ethylhexyl) butanedioate
CID 91701571
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
bis(2-ethylhexyl) nonanedioate
CID 7642
5-O-(4-bromophenyl) 1-O-(2-ethylhexyl) pentanedioate
CID 91706056
1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea
CID 75864935
2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
CID 66702251
5-O-(4-acetylphenyl) 1-O-(2-ethylhexyl) pentanedioate
CID 91706049

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate?
The IUPAC name of 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate (CID 66702447) is 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate.
What is the SMILES notation for 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate?
The canonical SMILES for 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate is CCCCC(CC)COC(=O)CCc1cc(OC)ccc1OC.
What is the InChIKey of 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate?
The InChIKey is KAMSXPUYRBZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-5-7-8-15(6-2)14-23-19(20)12-9-16-13-17(21-3)10-11-18(16)22-4/h10-11,13,15H,5-9,12,14H2,1-4H3.
What are the key properties of 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate?
2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate has a molecular weight of 322.44 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-(2,5-dimethoxyphenyl)propanoate is sourced from PubChem (CID 66702447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).