2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid

C24H22ClN3O5 — CID 68701498

IUPAC2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(OCCCOc2ccc(Cl)cc2-n2nc3ccccc3n2)cc1
InChIInChI=1S/C24H22ClN3O5/c25-18-8-11-23(22(14-18)28-26-20-4-1-2-5-21(20)27-28)33-13-3-12-32-19-9-6-17(7-10-19)15-31-16-24(29)30/h1-2,4-11,14H,3,12-13,15-16H2,(H,29,30)
InChIKeyMEGIFDOEJCERGE-UHFFFAOYSA-N
MW467.91 g/mol
LogP4.52
Rot. Bonds11

About 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid

2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid (PubChem CID 68701498) has the molecular formula C24H22ClN3O5 and a molecular weight of 467.91 g/mol. Its IUPAC name is 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid
PubChem CID68701498
Molecular FormulaC24H22ClN3O5
Molecular Weight467.91 g/mol
Exact Mass467.12
IUPAC Name2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(OCCCOc2ccc(Cl)cc2-n2nc3ccccc3n2)cc1
InChIInChI=1S/C24H22ClN3O5/c25-18-8-11-23(22(14-18)28-26-20-4-1-2-5-21(20)27-28)33-13-3-12-32-19-9-6-17(7-10-19)15-31-16-24(29)30/h1-2,4-11,14H,3,12-13,15-16H2,(H,29,30)
InChIKeyMEGIFDOEJCERGE-UHFFFAOYSA-N
XLogP4.52
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]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

2-[3-amino-4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]acetic acid
CID 89135065
2-[4-[3-[2-(benzotriazol-2-yl)-4-bromophenoxy]propoxy]phenoxy]acetic acid
CID 70903799
2-[4-[2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]ethoxy]-2-propan-2-ylphenyl]acetic acid
CID 11662712
2-[4-[3-[2-(benzotriazol-2-yl)-4-pyrazol-1-ylphenoxy]propoxy]phenoxy]acetic acid
CID 70956058
2-[3-anilino-4-[2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]ethoxy]phenyl]acetic acid
CID 143188145
ethyl 3-[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]-3-chlorophenyl]prop-2-enoate
CID 76653390
2-[4-[3-[4-chloro-2-(4-methylpiperazin-1-yl)phenoxy]propoxy]phenyl]acetic acid
CID 70956003
(2R)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid;(2S)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid
CID 159533564
2-[4-[3-[4-chloro-2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]phenoxy]propoxy]phenyl]acetic acid
CID 89135116
2-[4-[[1-[[2-(benzotriazol-2-yl)-4-thiophen-2-ylphenoxy]methyl]cyclopropyl]methoxy]phenyl]acetic acid
CID 70956064
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid
CID 126714734

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid?
The IUPAC name of 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid (CID 68701498) is 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid is O=C(O)COCc1ccc(OCCCOc2ccc(Cl)cc2-n2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid?
The InChIKey is MEGIFDOEJCERGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5/c25-18-8-11-23(22(14-18)28-26-20-4-1-2-5-21(20)27-28)33-13-3-12-32-19-9-6-17(7-10-19)15-31-16-24(29)30/h1-2,4-11,14H,3,12-13,15-16H2,(H,29,30).
What are the key properties of 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid?
2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid has a molecular weight of 467.91 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[2-(benzotriazol-2-yl)-4-chlorophenoxy]propoxy]phenyl]methoxy]acetic acid is sourced from PubChem (CID 68701498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).