ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate

C18H28O4 — CID 59859864

IUPACethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate
SMILESCCOC(=O)CCc1c(OC)cc(C(C)(C)CC)cc1OC
InChIInChI=1S/C18H28O4/c1-7-18(3,4)13-11-15(20-5)14(16(12-13)21-6)9-10-17(19)22-8-2/h11-12H,7-10H2,1-6H3
InChIKeyUFRFJCYFVPHTIB-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.89
Rot. Bonds8

About ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate

ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate (PubChem CID 59859864) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate
PubChem CID59859864
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Nameethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate
SMILESCCOC(=O)CCc1c(OC)cc(C(C)(C)CC)cc1OC
InChIInChI=1S/C18H28O4/c1-7-18(3,4)13-11-15(20-5)14(16(12-13)21-6)9-10-17(19)22-8-2/h11-12H,7-10H2,1-6H3
InChIKeyUFRFJCYFVPHTIB-UHFFFAOYSA-N
XLogP3.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate
CID 59859875
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
ethyl 3-[2,3,4-trimethoxy-6-(methylamino)phenyl]propanoate
CID 142882125
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate
CID 45271515
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
ethyl 3-(2,3,5,6-tetrabromo-4-methoxyphenyl)propanoate
CID 15890569

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate?
The IUPAC name of ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate (CID 59859864) is ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate is CCOC(=O)CCc1c(OC)cc(C(C)(C)CC)cc1OC.
What is the InChIKey of ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate?
The InChIKey is UFRFJCYFVPHTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-7-18(3,4)13-11-15(20-5)14(16(12-13)21-6)9-10-17(19)22-8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate?
ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate has a molecular weight of 308.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate is sourced from PubChem (CID 59859864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).