3-[(4-phenylphenoxy)methyl]benzoic acid

C20H16O3 — CID 18707489

IUPAC3-[(4-phenylphenoxy)methyl]benzoic acid
SMILESO=C(O)c1cccc(COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H16O3/c21-20(22)18-8-4-5-15(13-18)14-23-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22)
InChIKeyUAFSXXNQRUGQOR-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.63
Rot. Bonds5

About 3-[(4-phenylphenoxy)methyl]benzoic acid

3-[(4-phenylphenoxy)methyl]benzoic acid (PubChem CID 18707489) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[(4-phenylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-phenylphenoxy)methyl]benzoic acid
PubChem CID18707489
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name3-[(4-phenylphenoxy)methyl]benzoic acid
SMILESO=C(O)c1cccc(COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H16O3/c21-20(22)18-8-4-5-15(13-18)14-23-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22)
InChIKeyUAFSXXNQRUGQOR-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid
CID 11623751
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-[2-oxo-3-(4-phenylmethoxyphenoxy)propyl]benzoic acid
CID 58156785
3-[(4-nitrophenoxy)methyl]benzoic acid
CID 7015977
3-[[4-(2-carboxy-2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 141111716
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
4-phenylmethoxybenzoic acid
CID 68896574
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-(1-benzofuran-6-yloxymethyl)benzoic acid
CID 155153911
3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)phenoxy]methyl]benzoic acid
CID 166380758
3-[[3-(1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967624

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenoxy)methyl]benzoic acid?
The IUPAC name of 3-[(4-phenylphenoxy)methyl]benzoic acid (CID 18707489) is 3-[(4-phenylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 3-[(4-phenylphenoxy)methyl]benzoic acid?
The canonical SMILES for 3-[(4-phenylphenoxy)methyl]benzoic acid is O=C(O)c1cccc(COc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-[(4-phenylphenoxy)methyl]benzoic acid?
The InChIKey is UAFSXXNQRUGQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c21-20(22)18-8-4-5-15(13-18)14-23-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13H,14H2,(H,21,22).
What are the key properties of 3-[(4-phenylphenoxy)methyl]benzoic acid?
3-[(4-phenylphenoxy)methyl]benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 18707489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).