4-[(4-phenoxyphenyl)methyl]benzoic acid

C20H16O3 — CID 10017907

IUPAC4-[(4-phenoxyphenyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H16O3/c21-20(22)17-10-6-15(7-11-17)14-16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13H,14H2,(H,21,22)
InChIKeyGHORJUWYIFXSFA-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.77
Rot. Bonds5

About 4-[(4-phenoxyphenyl)methyl]benzoic acid

4-[(4-phenoxyphenyl)methyl]benzoic acid (PubChem CID 10017907) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(4-phenoxyphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-phenoxyphenyl)methyl]benzoic acid
PubChem CID10017907
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name4-[(4-phenoxyphenyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H16O3/c21-20(22)17-10-6-15(7-11-17)14-16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13H,14H2,(H,21,22)
InChIKeyGHORJUWYIFXSFA-UHFFFAOYSA-N
XLogP4.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenoxyphenyl)methyl]benzoic acid?
The IUPAC name of 4-[(4-phenoxyphenyl)methyl]benzoic acid (CID 10017907) is 4-[(4-phenoxyphenyl)methyl]benzoic acid.
What is the SMILES notation for 4-[(4-phenoxyphenyl)methyl]benzoic acid?
The canonical SMILES for 4-[(4-phenoxyphenyl)methyl]benzoic acid is O=C(O)c1ccc(Cc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenoxyphenyl)methyl]benzoic acid?
The InChIKey is GHORJUWYIFXSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c21-20(22)17-10-6-15(7-11-17)14-16-8-12-19(13-9-16)23-18-4-2-1-3-5-18/h1-13H,14H2,(H,21,22).
What are the key properties of 4-[(4-phenoxyphenyl)methyl]benzoic acid?
4-[(4-phenoxyphenyl)methyl]benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenoxyphenyl)methyl]benzoic acid is sourced from PubChem (CID 10017907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).