2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid

C15H12Cl2O3 — CID 22684497

IUPAC2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3/c16-12-5-6-13(17)14(8-12)20-9-11-3-1-10(2-4-11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)
InChIKeyVHPJODMALBJJLG-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.20
Rot. Bonds5

About 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid

2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid (PubChem CID 22684497) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
PubChem CID22684497
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H12Cl2O3/c16-12-5-6-13(17)14(8-12)20-9-11-3-1-10(2-4-11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)
InChIKeyVHPJODMALBJJLG-UHFFFAOYSA-N
XLogP4.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62028938
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
CID 4980659
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid (CID 22684497) is 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid is O=C(O)Cc1ccc(COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid?
The InChIKey is VHPJODMALBJJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-12-5-6-13(17)14(8-12)20-9-11-3-1-10(2-4-11)7-15(18)19/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid?
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid has a molecular weight of 311.16 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 22684497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).