ethyl 5-chloro-2-phenoxybenzoate

C15H13ClO3 — CID 11652014

IUPACethyl 5-chloro-2-phenoxybenzoate
SMILESCCOC(=O)c1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C15H13ClO3/c1-2-18-15(17)13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyMSYYEEQIAJZUHV-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.31
Rot. Bonds4

About ethyl 5-chloro-2-phenoxybenzoate

ethyl 5-chloro-2-phenoxybenzoate (PubChem CID 11652014) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is ethyl 5-chloro-2-phenoxybenzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2-phenoxybenzoate
PubChem CID11652014
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Nameethyl 5-chloro-2-phenoxybenzoate
SMILESCCOC(=O)c1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C15H13ClO3/c1-2-18-15(17)13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyMSYYEEQIAJZUHV-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14910056
ethyl 5-amino-2-(4-chloro-2-methylphenoxy)benzoate
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ethyl 5-chloro-2-(2-methylphenyl)benzoate
CID 142890235
ethyl 2-(3,4-difluorophenoxy)benzoate
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ethyl 5-amino-2-(3-methylphenoxy)benzoate
CID 61305399
ethyl 5-chloro-2-sulfanylbenzoate;tetrakis(triphenylphosphane)
CID 158137051
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CID 174910592
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
ethyl 5-chloro-2-propylsulfanylbenzoate
CID 82553574
5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide
CID 63518243
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-phenoxybenzoate?
The IUPAC name of ethyl 5-chloro-2-phenoxybenzoate (CID 11652014) is ethyl 5-chloro-2-phenoxybenzoate.
What is the SMILES notation for ethyl 5-chloro-2-phenoxybenzoate?
The canonical SMILES for ethyl 5-chloro-2-phenoxybenzoate is CCOC(=O)c1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of ethyl 5-chloro-2-phenoxybenzoate?
The InChIKey is MSYYEEQIAJZUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-2-18-15(17)13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of ethyl 5-chloro-2-phenoxybenzoate?
ethyl 5-chloro-2-phenoxybenzoate has a molecular weight of 276.72 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-phenoxybenzoate is sourced from PubChem (CID 11652014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).