diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate

C24H30O6 — CID 86626562

IUPACdiethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate
SMILESCCOC(=O)c1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1C(=O)OCC
InChIInChI=1S/C24H30O6/c1-8-28-23(25)19-12-15(5)22(16(6)21(19)24(26)29-9-2)30-17-10-11-20(27-7)18(13-17)14(3)4/h10-14H,8-9H2,1-7H3
InChIKeyAONDLAKPECRKBG-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.58
Rot. Bonds8

About diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate

diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate (PubChem CID 86626562) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate
PubChem CID86626562
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Namediethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate
SMILESCCOC(=O)c1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1C(=O)OCC
InChIInChI=1S/C24H30O6/c1-8-28-23(25)19-12-15(5)22(16(6)21(19)24(26)29-9-2)30-17-10-11-20(27-7)18(13-17)14(3)4/h10-14H,8-9H2,1-7H3
InChIKeyAONDLAKPECRKBG-UHFFFAOYSA-N
XLogP5.58
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863
O-ethyl [4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]sulfanylmethanethioate
CID 10000485
4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline
CID 11779514
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate
CID 142030848
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 152610053
[4-(4-methoxy-3-propan-2-ylphenoxy)-5,6-dimethyl-1H-indol-2-yl]phosphonic acid
CID 66642905
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
ethyl 2-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]diazenyl]propanoate
CID 90938223
2-O-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 41023044

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate?
The IUPAC name of diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate (CID 86626562) is diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate is CCOC(=O)c1cc(C)c(Oc2ccc(OC)c(C(C)C)c2)c(C)c1C(=O)OCC.
What is the InChIKey of diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate?
The InChIKey is AONDLAKPECRKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-8-28-23(25)19-12-15(5)22(16(6)21(19)24(26)29-9-2)30-17-10-11-20(27-7)18(13-17)14(3)4/h10-14H,8-9H2,1-7H3.
What are the key properties of diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate?
diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate has a molecular weight of 414.50 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylbenzene-1,2-dicarboxylate is sourced from PubChem (CID 86626562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).