methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate

C19H20O4 — CID 4063050

IUPACmethyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
SMILESCOC(=O)c1ccc(CCCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H20O4/c1-22-18(20)16-10-6-14(7-11-16)4-3-5-15-8-12-17(13-9-15)19(21)23-2/h6-13H,3-5H2,1-2H3
InChIKeyVEZONEJXOPSUHU-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.44
Rot. Bonds6

About methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate

methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate (PubChem CID 4063050) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
PubChem CID4063050
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Namemethyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
SMILESCOC(=O)c1ccc(CCCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H20O4/c1-22-18(20)16-10-6-14(7-11-16)4-3-5-15-8-12-17(13-9-15)19(21)23-2/h6-13H,3-5H2,1-2H3
InChIKeyVEZONEJXOPSUHU-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
methyl 4-hex-5-enylbenzoate
CID 15527474
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-[3-(4-hexylphenyl)-3-oxopropanoyl]benzoate
CID 58428312
methyl 4-[(E)-5-methoxypent-4-enyl]benzoate
CID 11085712
methyl 4-(4-pentylphenoxy)benzoate
CID 142415116
2-(4-methoxycarbonylphenyl)ethanesulfonic acid
CID 46835733
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate
CID 67764675
methyl 4-[(4E)-4-(hydroxymethylidene)-5-oxohexyl]benzoate
CID 134922745
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate?
The IUPAC name of methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate (CID 4063050) is methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate.
What is the SMILES notation for methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate?
The canonical SMILES for methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate is COC(=O)c1ccc(CCCc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate?
The InChIKey is VEZONEJXOPSUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-22-18(20)16-10-6-14(7-11-16)4-3-5-15-8-12-17(13-9-15)19(21)23-2/h6-13H,3-5H2,1-2H3.
What are the key properties of methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate?
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate is sourced from PubChem (CID 4063050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).