2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid

C22H18O5 — CID 21051383

IUPAC2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid
SMILESO=Cc1ccc(OCc2ccccc2)c(OC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C22H18O5/c23-14-17-11-12-19(26-15-16-7-3-1-4-8-16)20(13-17)27-21(22(24)25)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,25)
InChIKeyDQXXUAYZVQKFLQ-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.28
Rot. Bonds8

About 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid

2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid (PubChem CID 21051383) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid
PubChem CID21051383
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid
SMILESO=Cc1ccc(OCc2ccccc2)c(OC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C22H18O5/c23-14-17-11-12-19(26-15-16-7-3-1-4-8-16)20(13-17)27-21(22(24)25)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,25)
InChIKeyDQXXUAYZVQKFLQ-UHFFFAOYSA-N
XLogP4.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
5-formyl-2-phenylmethoxybenzoic acid
CID 969870
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
4-phenylmethoxy-3-(tritiomethoxy)benzaldehyde
CID 10562246
bis(5-formyl-2-phenylmethoxyphenyl)iodanium bromide
CID 11204409
3,4-dibenzhydryloxybenzaldehyde
CID 10766747
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 9201107
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
3-[(benzylamino)methyl]-4-phenylmethoxybenzaldehyde
CID 139985120
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid;3-methyl-4-phenylmethoxybenzaldehyde
CID 173269771
3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid (CID 21051383) is 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid is O=Cc1ccc(OCc2ccccc2)c(OC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid?
The InChIKey is DQXXUAYZVQKFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c23-14-17-11-12-19(26-15-16-7-3-1-4-8-16)20(13-17)27-21(22(24)25)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,25).
What are the key properties of 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid?
2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid has a molecular weight of 362.38 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-2-phenylmethoxyphenoxy)-2-phenylacetic acid is sourced from PubChem (CID 21051383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).