3-[(2,5-dichlorophenoxy)methyl]benzoic acid

C14H10Cl2O3 — CID 584738

IUPAC3-[(2,5-dichlorophenoxy)methyl]benzoic acid
SMILESO=C(O)c1cccc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2O3/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyCVZMWRUIYNDPCB-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.27
Rot. Bonds4

About 3-[(2,5-dichlorophenoxy)methyl]benzoic acid

3-[(2,5-dichlorophenoxy)methyl]benzoic acid (PubChem CID 584738) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorophenoxy)methyl]benzoic acid
PubChem CID584738
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name3-[(2,5-dichlorophenoxy)methyl]benzoic acid
SMILESO=C(O)c1cccc(COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2O3/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyCVZMWRUIYNDPCB-UHFFFAOYSA-N
XLogP4.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenoxy)methyl]benzoic acid?
The IUPAC name of 3-[(2,5-dichlorophenoxy)methyl]benzoic acid (CID 584738) is 3-[(2,5-dichlorophenoxy)methyl]benzoic acid.
What is the SMILES notation for 3-[(2,5-dichlorophenoxy)methyl]benzoic acid?
The canonical SMILES for 3-[(2,5-dichlorophenoxy)methyl]benzoic acid is O=C(O)c1cccc(COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenoxy)methyl]benzoic acid?
The InChIKey is CVZMWRUIYNDPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 3-[(2,5-dichlorophenoxy)methyl]benzoic acid?
3-[(2,5-dichlorophenoxy)methyl]benzoic acid has a molecular weight of 297.14 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenoxy)methyl]benzoic acid is sourced from PubChem (CID 584738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).