ARJMMFACEQCYGC-UHFFFAOYSA-N

Name: ARJMMFACEQCYGC-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₀BrClO₃ — CID 66666627

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 3-bromo-4-(4-chlorophenoxy)benzoate

SMILESCOC(=O)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1

InChIInChI=1S/C14H10BrClO3/c1-18-14(17)9-2-7-13(12(15)8-9)19-11-5-3-10(16)4-6-11/h2-8H,1H3

InChIKeyARJMMFACEQCYGC-UHFFFAOYSA-N

MW341.59 g/mol

LogP4.68

Rot. Bonds3

About ARJMMFACEQCYGC-UHFFFAOYSA-N

ARJMMFACEQCYGC-UHFFFAOYSA-N (PubChem CID 66666627) has the molecular formula C₁₄H₁₀BrClO₃ and a molecular weight of 341.59 g/mol. Its IUPAC name is methyl 3-bromo-4-(4-chlorophenoxy)benzoate.

Molecular Properties

Compound Name	ARJMMFACEQCYGC-UHFFFAOYSA-N
PubChem CID	66666627
Molecular Formula	C₁₄H₁₀BrClO₃
Molecular Weight	341.59 g/mol
Exact Mass	339.95
IUPAC Name	methyl 3-bromo-4-(4-chlorophenoxy)benzoate
SMILES	COC(=O)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1
InChI	InChI=1S/C14H10BrClO3/c1-18-14(17)9-2-7-13(12(15)8-9)19-11-5-3-10(16)4-6-11/h2-8H,1H3
InChIKey	ARJMMFACEQCYGC-UHFFFAOYSA-N
XLogP	4.68
TPSA	35.53 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.59
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ARJMMFACEQCYGC-UHFFFAOYSA-N?

The IUPAC name of ARJMMFACEQCYGC-UHFFFAOYSA-N (CID 66666627) is methyl 3-bromo-4-(4-chlorophenoxy)benzoate.

What is the SMILES notation for ARJMMFACEQCYGC-UHFFFAOYSA-N?

The canonical SMILES for ARJMMFACEQCYGC-UHFFFAOYSA-N is COC(=O)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1.

What is the InChIKey of ARJMMFACEQCYGC-UHFFFAOYSA-N?

The InChIKey is ARJMMFACEQCYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c1-18-14(17)9-2-7-13(12(15)8-9)19-11-5-3-10(16)4-6-11/h2-8H,1H3.

What are the key properties of ARJMMFACEQCYGC-UHFFFAOYSA-N?

ARJMMFACEQCYGC-UHFFFAOYSA-N has a molecular weight of 341.59 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ARJMMFACEQCYGC-UHFFFAOYSA-N is sourced from PubChem (CID 66666627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66666627 — identifiers, structure, computed properties (public domain)

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