2-phenoxy-2-(4-phenoxyphenyl)acetic acid

C20H16O4 — CID 12531884

IUPAC2-phenoxy-2-(4-phenoxyphenyl)acetic acid
SMILESO=C(O)C(Oc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16O4/c21-20(22)19(24-17-9-5-2-6-10-17)15-11-13-18(14-12-15)23-16-7-3-1-4-8-16/h1-14,19H,(H,21,22)
InChIKeyFFHUEHHBRQTONH-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.68
Rot. Bonds6

About 2-phenoxy-2-(4-phenoxyphenyl)acetic acid

2-phenoxy-2-(4-phenoxyphenyl)acetic acid (PubChem CID 12531884) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-phenoxy-2-(4-phenoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-phenoxy-2-(4-phenoxyphenyl)acetic acid
PubChem CID12531884
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name2-phenoxy-2-(4-phenoxyphenyl)acetic acid
SMILESO=C(O)C(Oc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H16O4/c21-20(22)19(24-17-9-5-2-6-10-17)15-11-13-18(14-12-15)23-16-7-3-1-4-8-16/h1-14,19H,(H,21,22)
InChIKeyFFHUEHHBRQTONH-UHFFFAOYSA-N
XLogP4.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-2-(4-phenoxyphenyl)acetic acid?
The IUPAC name of 2-phenoxy-2-(4-phenoxyphenyl)acetic acid (CID 12531884) is 2-phenoxy-2-(4-phenoxyphenyl)acetic acid.
What is the SMILES notation for 2-phenoxy-2-(4-phenoxyphenyl)acetic acid?
The canonical SMILES for 2-phenoxy-2-(4-phenoxyphenyl)acetic acid is O=C(O)C(Oc1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-2-(4-phenoxyphenyl)acetic acid?
The InChIKey is FFHUEHHBRQTONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c21-20(22)19(24-17-9-5-2-6-10-17)15-11-13-18(14-12-15)23-16-7-3-1-4-8-16/h1-14,19H,(H,21,22).
What are the key properties of 2-phenoxy-2-(4-phenoxyphenyl)acetic acid?
2-phenoxy-2-(4-phenoxyphenyl)acetic acid has a molecular weight of 320.34 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-(4-phenoxyphenyl)acetic acid is sourced from PubChem (CID 12531884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).