2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid

C15H13ClO3 — CID 22366404

IUPAC2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C15H13ClO3/c16-13-7-3-4-8-14(13)19-10-12-6-2-1-5-11(12)9-15(17)18/h1-8H,9-10H2,(H,17,18)
InChIKeyNGPKSYFQDDRLFD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.55
Rot. Bonds5

About 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid

2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid (PubChem CID 22366404) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
PubChem CID22366404
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C15H13ClO3/c16-13-7-3-4-8-14(13)19-10-12-6-2-1-5-11(12)9-15(17)18/h1-8H,9-10H2,(H,17,18)
InChIKeyNGPKSYFQDDRLFD-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100
2-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]guanidine
CID 111465066
2-[2-(chlorooxymethyl)phenyl]acetic acid
CID 174719829
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
CID 119333060
2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
CID 115461339
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
2-[2-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460814
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460810
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460486

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid (CID 22366404) is 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1COc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid?
The InChIKey is NGPKSYFQDDRLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-13-7-3-4-8-14(13)19-10-12-6-2-1-5-11(12)9-15(17)18/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid?
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid has a molecular weight of 276.72 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 22366404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).