ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate

C19H16Cl2O4 — CID 156776008

IUPACethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(Oc2ccc(C(=O)c3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C19H16Cl2O4/c1-2-24-18(23)19(10-11-19)25-13-8-6-12(7-9-13)17(22)16-14(20)4-3-5-15(16)21/h3-9H,2,10-11H2,1H3
InChIKeyDHALFGLFTAINRY-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.70
Rot. Bonds6

About ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate

ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate (PubChem CID 156776008) has the molecular formula C19H16Cl2O4 and a molecular weight of 379.24 g/mol. Its IUPAC name is ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate
PubChem CID156776008
Molecular FormulaC19H16Cl2O4
Molecular Weight379.24 g/mol
Exact Mass378.04
IUPAC Nameethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(Oc2ccc(C(=O)c3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C19H16Cl2O4/c1-2-24-18(23)19(10-11-19)25-13-8-6-12(7-9-13)17(22)16-14(20)4-3-5-15(16)21/h3-9H,2,10-11H2,1H3
InChIKeyDHALFGLFTAINRY-UHFFFAOYSA-N
XLogP4.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate (CID 156776008) is ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate is CCOC(=O)C1(Oc2ccc(C(=O)c3c(Cl)cccc3Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate?
The InChIKey is DHALFGLFTAINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O4/c1-2-24-18(23)19(10-11-19)25-13-8-6-12(7-9-13)17(22)16-14(20)4-3-5-15(16)21/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate?
ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate has a molecular weight of 379.24 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(2,6-dichlorobenzoyl)phenoxy]cyclopropane-1-carboxylate is sourced from PubChem (CID 156776008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).