2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid

C21H18O4 — CID 67146724

IUPAC2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(OCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H18O4/c22-21(23)15-25-20-11-9-19(10-12-20)24-14-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,22,23)
InChIKeyDOSXJOZPAJLIOB-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.40
Rot. Bonds7

About 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid

2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid (PubChem CID 67146724) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
PubChem CID67146724
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(OCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H18O4/c22-21(23)15-25-20-11-9-19(10-12-20)24-14-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,22,23)
InChIKeyDOSXJOZPAJLIOB-UHFFFAOYSA-N
XLogP4.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
2-[4-[3-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]phenoxy]acetic acid
CID 71717831
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188659
2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid
CID 58287793
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
2-phenoxyacetic acid;titanium
CID 174896747
2-[[3-[4-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91326292

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid (CID 67146724) is 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid is O=C(O)COc1ccc(OCc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid?
The InChIKey is DOSXJOZPAJLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c22-21(23)15-25-20-11-9-19(10-12-20)24-14-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,22,23).
What are the key properties of 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid?
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid is sourced from PubChem (CID 67146724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).