2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid

C15H12Cl2O4 — CID 69118840

IUPAC2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1Cc1ccc(Cl)cc1O
InChIInChI=1S/C15H12Cl2O4/c16-11-3-4-14(21-8-15(19)20)10(6-11)5-9-1-2-12(17)7-13(9)18/h1-4,6-7,18H,5,8H2,(H,19,20)
InChIKeyWNHRQTWQPKYCQK-UHFFFAOYSA-N
MW327.16 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid

2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid (PubChem CID 69118840) has the molecular formula C15H12Cl2O4 and a molecular weight of 327.16 g/mol. Its IUPAC name is 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
PubChem CID69118840
Molecular FormulaC15H12Cl2O4
Molecular Weight327.16 g/mol
Exact Mass326.01
IUPAC Name2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1Cc1ccc(Cl)cc1O
InChIInChI=1S/C15H12Cl2O4/c16-11-3-4-14(21-8-15(19)20)10(6-11)5-9-1-2-12(17)7-13(9)18/h1-4,6-7,18H,5,8H2,(H,19,20)
InChIKeyWNHRQTWQPKYCQK-UHFFFAOYSA-N
XLogP3.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
benzyl 2-[4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenoxy]acetate;4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 158160589
2-(4-chloro-2-tetradecylphenoxy)acetic acid;hydrochloride
CID 70523873
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
1-(2-benzyl-4-chlorophenoxy)propan-2-one
CID 60626538
2-[4-chloro-2-[[5-chloro-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methyl]phenoxy]acetic acid
CID 11990630
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
2-(2-acetamido-4-chlorophenoxy)acetic acid
CID 59772130

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid (CID 69118840) is 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid is O=C(O)COc1ccc(Cl)cc1Cc1ccc(Cl)cc1O.
What is the InChIKey of 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid?
The InChIKey is WNHRQTWQPKYCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O4/c16-11-3-4-14(21-8-15(19)20)10(6-11)5-9-1-2-12(17)7-13(9)18/h1-4,6-7,18H,5,8H2,(H,19,20).
What are the key properties of 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid?
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid has a molecular weight of 327.16 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid is sourced from PubChem (CID 69118840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).