ethyl 2-(4-methoxycarbonylphenyl)benzoate

C17H16O4 — CID 170872162

IUPACethyl 2-(4-methoxycarbonylphenyl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H16O4/c1-3-21-17(19)15-7-5-4-6-14(15)12-8-10-13(11-9-12)16(18)20-2/h4-11H,3H2,1-2H3
InChIKeyDIEZHIDWCREIPA-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-(4-methoxycarbonylphenyl)benzoate

ethyl 2-(4-methoxycarbonylphenyl)benzoate (PubChem CID 170872162) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-(4-methoxycarbonylphenyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxycarbonylphenyl)benzoate
PubChem CID170872162
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Nameethyl 2-(4-methoxycarbonylphenyl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H16O4/c1-3-21-17(19)15-7-5-4-6-14(15)12-8-10-13(11-9-12)16(18)20-2/h4-11H,3H2,1-2H3
InChIKeyDIEZHIDWCREIPA-UHFFFAOYSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methylphenyl)benzoate
CID 10922668
methyl 4-(2-propanoylphenyl)benzoate
CID 174354570
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 2-(4-propan-2-ylphenyl)benzoate
CID 59820247
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2432236
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
ethyl 4-(2-phosphanylphenyl)benzoate
CID 22374006
3-(4-ethoxycarbonylphenyl)-2-methylbenzoic acid
CID 53227860
3-(4-ethoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227875
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxycarbonylphenyl)benzoate?
The IUPAC name of ethyl 2-(4-methoxycarbonylphenyl)benzoate (CID 170872162) is ethyl 2-(4-methoxycarbonylphenyl)benzoate.
What is the SMILES notation for ethyl 2-(4-methoxycarbonylphenyl)benzoate?
The canonical SMILES for ethyl 2-(4-methoxycarbonylphenyl)benzoate is CCOC(=O)c1ccccc1-c1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxycarbonylphenyl)benzoate?
The InChIKey is DIEZHIDWCREIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-3-21-17(19)15-7-5-4-6-14(15)12-8-10-13(11-9-12)16(18)20-2/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxycarbonylphenyl)benzoate?
ethyl 2-(4-methoxycarbonylphenyl)benzoate has a molecular weight of 284.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxycarbonylphenyl)benzoate is sourced from PubChem (CID 170872162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).