ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate

C26H28O3 — CID 52918587

IUPACethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(OC)ccc1-c1ccc(-c2cccc(C)c2)c(C)c1
InChIInChI=1S/C26H28O3/c1-5-29-26(27)14-10-22-17-23(28-4)11-13-25(22)21-9-12-24(19(3)16-21)20-8-6-7-18(2)15-20/h6-9,11-13,15-17H,5,10,14H2,1-4H3
InChIKeyHOKWAXWLYAVMBR-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.14
Rot. Bonds7

About ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate

ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate (PubChem CID 52918587) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate
PubChem CID52918587
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Nameethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(OC)ccc1-c1ccc(-c2cccc(C)c2)c(C)c1
InChIInChI=1S/C26H28O3/c1-5-29-26(27)14-10-22-17-23(28-4)11-13-25(22)21-9-12-24(19(3)16-21)20-8-6-7-18(2)15-20/h6-9,11-13,15-17H,5,10,14H2,1-4H3
InChIKeyHOKWAXWLYAVMBR-UHFFFAOYSA-N
XLogP6.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid
CID 162205972
ethyl 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methoxyphenyl]propanoate
CID 118198123
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339
(Z)-3-amino-N-[[5-methoxy-2-(3-methylphenyl)phenyl]methyl]-2-sulfanylbut-2-enamide
CID 142191015
ethyl (E)-3-[2-[3-formyl-4-(3-methylphenyl)phenyl]-5-methoxyphenyl]prop-2-enoate
CID 130342690
ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[2-[2-[4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenoxy]ethoxy]ethoxy]ethyl]amino]acetate
CID 100932495
ethyl 3-[5-hydroxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]prop-2-enoate
CID 76714369
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
1-O-ethyl 4-O-(3-methylphenyl) butanedioate
CID 91702415
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-2-methyl-4-(3-methylphenyl)phenoxy]acetate
CID 175709429
ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate
CID 140935430

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate (CID 52918587) is ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate is CCOC(=O)CCc1cc(OC)ccc1-c1ccc(-c2cccc(C)c2)c(C)c1.
What is the InChIKey of ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate?
The InChIKey is HOKWAXWLYAVMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-5-29-26(27)14-10-22-17-23(28-4)11-13-25(22)21-9-12-24(19(3)16-21)20-8-6-7-18(2)15-20/h6-9,11-13,15-17H,5,10,14H2,1-4H3.
What are the key properties of ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate?
ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate has a molecular weight of 388.51 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate is sourced from PubChem (CID 52918587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).