ethyl 4-benzyl-2,3-dichlorobenzoate

C16H14Cl2O2 — CID 70381316

IUPACethyl 4-benzyl-2,3-dichlorobenzoate
SMILESCCOC(=O)c1ccc(Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C16H14Cl2O2/c1-2-20-16(19)13-9-8-12(14(17)15(13)18)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyHFBZWZRRGBDOAW-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.76
Rot. Bonds4

About ethyl 4-benzyl-2,3-dichlorobenzoate

ethyl 4-benzyl-2,3-dichlorobenzoate (PubChem CID 70381316) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is ethyl 4-benzyl-2,3-dichlorobenzoate.

Molecular Properties

Compound Nameethyl 4-benzyl-2,3-dichlorobenzoate
PubChem CID70381316
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Nameethyl 4-benzyl-2,3-dichlorobenzoate
SMILESCCOC(=O)c1ccc(Cc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C16H14Cl2O2/c1-2-20-16(19)13-9-8-12(14(17)15(13)18)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyHFBZWZRRGBDOAW-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-bromo-2,3-dichlorobenzoate
CID 163198210
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
ethyl 4-benzyl-5-methylfuran-2-carboxylate
CID 102582435
ethyl 3-benzyl-4-methylbenzoate
CID 86240773
ethyl 2,3-dichloro-4-cyanobenzoate
CID 134651473
ethyl 3-amino-2-chloro-4-methoxybenzoate
CID 166071385
ethyl 5,6-dibenzyl-2-oxochromene-3-carboxylate
CID 87515912
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71608505
ethyl 4-amino-3-bromo-2-chlorobenzoate
CID 171016631
ethyl 3-amino-4-bromo-2-chlorobenzoate
CID 171016259

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-2,3-dichlorobenzoate?
The IUPAC name of ethyl 4-benzyl-2,3-dichlorobenzoate (CID 70381316) is ethyl 4-benzyl-2,3-dichlorobenzoate.
What is the SMILES notation for ethyl 4-benzyl-2,3-dichlorobenzoate?
The canonical SMILES for ethyl 4-benzyl-2,3-dichlorobenzoate is CCOC(=O)c1ccc(Cc2ccccc2)c(Cl)c1Cl.
What is the InChIKey of ethyl 4-benzyl-2,3-dichlorobenzoate?
The InChIKey is HFBZWZRRGBDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-2-20-16(19)13-9-8-12(14(17)15(13)18)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 4-benzyl-2,3-dichlorobenzoate?
ethyl 4-benzyl-2,3-dichlorobenzoate has a molecular weight of 309.19 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-2,3-dichlorobenzoate is sourced from PubChem (CID 70381316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).