3-[(3-chlorophenoxy)methyl]benzoic acid

C14H11ClO3 — CID 893084

IUPAC3-[(3-chlorophenoxy)methyl]benzoic acid
SMILESO=C(O)c1cccc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClO3/c15-12-5-2-6-13(8-12)18-9-10-3-1-4-11(7-10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyONTJAMCYIQODDU-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.62
Rot. Bonds4

About 3-[(3-chlorophenoxy)methyl]benzoic acid

3-[(3-chlorophenoxy)methyl]benzoic acid (PubChem CID 893084) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]benzoic acid
PubChem CID893084
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name3-[(3-chlorophenoxy)methyl]benzoic acid
SMILESO=C(O)c1cccc(COc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClO3/c15-12-5-2-6-13(8-12)18-9-10-3-1-4-11(7-10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyONTJAMCYIQODDU-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]benzoic acid?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]benzoic acid (CID 893084) is 3-[(3-chlorophenoxy)methyl]benzoic acid.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]benzoic acid?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]benzoic acid is O=C(O)c1cccc(COc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]benzoic acid?
The InChIKey is ONTJAMCYIQODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-12-5-2-6-13(8-12)18-9-10-3-1-4-11(7-10)14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 3-[(3-chlorophenoxy)methyl]benzoic acid?
3-[(3-chlorophenoxy)methyl]benzoic acid has a molecular weight of 262.69 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]benzoic acid is sourced from PubChem (CID 893084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).