2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid

C19H22O3 — CID 20985349

IUPAC2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
SMILESCC(C)(C)c1ccc(OCc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C19H22O3/c1-19(2,3)16-8-10-17(11-9-16)22-13-15-6-4-14(5-7-15)12-18(20)21/h4-11H,12-13H2,1-3H3,(H,20,21)
InChIKeyFLZITLMAQSKJNO-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.19
Rot. Bonds5

About 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid

2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid (PubChem CID 20985349) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
PubChem CID20985349
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
SMILESCC(C)(C)c1ccc(OCc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C19H22O3/c1-19(2,3)16-8-10-17(11-9-16)22-13-15-6-4-14(5-7-15)12-18(20)21/h4-11H,12-13H2,1-3H3,(H,20,21)
InChIKeyFLZITLMAQSKJNO-UHFFFAOYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]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-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
2-[4-[3-[1-(4-tert-butylphenyl)ethylideneamino]oxypropoxy]phenyl]acetic acid
CID 72975664
1-(benzenesulfonyl)-4-[(4-tert-butylphenoxy)methyl]benzene
CID 2948852
4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694
2-[4-[[(Z)-(4-tert-butylphenyl)methylideneamino]oxymethyl]phenyl]acetic acid
CID 129382360
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid (CID 20985349) is 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid is CC(C)(C)c1ccc(OCc2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid?
The InChIKey is FLZITLMAQSKJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-19(2,3)16-8-10-17(11-9-16)22-13-15-6-4-14(5-7-15)12-18(20)21/h4-11H,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid?
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 20985349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).