methyl 4-(4-methoxycarbonylphenyl)benzoate

C16H14O4 — CID 13099

IUPACmethyl 4-(4-methoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3
InChIKeyBKRIRZXWWALTPU-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.93
Rot. Bonds3

About methyl 4-(4-methoxycarbonylphenyl)benzoate

methyl 4-(4-methoxycarbonylphenyl)benzoate (PubChem CID 13099) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 4-(4-methoxycarbonylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxycarbonylphenyl)benzoate
PubChem CID13099
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namemethyl 4-(4-methoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3
InChIKeyBKRIRZXWWALTPU-UHFFFAOYSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxycarbonylphenyl)benzoate?
The IUPAC name of methyl 4-(4-methoxycarbonylphenyl)benzoate (CID 13099) is methyl 4-(4-methoxycarbonylphenyl)benzoate.
What is the SMILES notation for methyl 4-(4-methoxycarbonylphenyl)benzoate?
The canonical SMILES for methyl 4-(4-methoxycarbonylphenyl)benzoate is COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-(4-methoxycarbonylphenyl)benzoate?
The InChIKey is BKRIRZXWWALTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3.
What are the key properties of methyl 4-(4-methoxycarbonylphenyl)benzoate?
methyl 4-(4-methoxycarbonylphenyl)benzoate has a molecular weight of 270.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxycarbonylphenyl)benzoate is sourced from PubChem (CID 13099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).