2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid

C18H20O3 — CID 80722666

IUPAC2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
SMILESCc1cc(C)c(COc2ccccc2CC(=O)O)c(C)c1
InChIInChI=1S/C18H20O3/c1-12-8-13(2)16(14(3)9-12)11-21-17-7-5-4-6-15(17)10-18(19)20/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyARIHQPPUBOFRPC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid

2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid (PubChem CID 80722666) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
PubChem CID80722666
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
SMILESCc1cc(C)c(COc2ccccc2CC(=O)O)c(C)c1
InChIInChI=1S/C18H20O3/c1-12-8-13(2)16(14(3)9-12)11-21-17-7-5-4-6-15(17)10-18(19)20/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyARIHQPPUBOFRPC-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
2-fluoro-6-[(2,4,6-trimethylphenyl)methoxy]benzoic acid
CID 107014119
(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol
CID 78931588
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 107698387
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 62550020
2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]ethanol
CID 107713072
2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
2-[2-[(3-bromophenyl)methoxy]phenyl]acetic acid
CID 80742211
[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 63533092
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid (CID 80722666) is 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid is Cc1cc(C)c(COc2ccccc2CC(=O)O)c(C)c1.
What is the InChIKey of 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid?
The InChIKey is ARIHQPPUBOFRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-8-13(2)16(14(3)9-12)11-21-17-7-5-4-6-15(17)10-18(19)20/h4-9H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid?
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 80722666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).