4-[(4-tritylphenyl)methoxymethyl]benzoic acid

C34H28O3 — CID 174525236

IUPAC4-[(4-tritylphenyl)methoxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COCc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H28O3/c35-33(36)28-20-16-26(17-21-28)24-37-25-27-18-22-32(23-19-27)34(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-23H,24-25H2,(H,35,36)
InChIKeyQZBIQQRADMWOHO-UHFFFAOYSA-N
MW484.60 g/mol
LogP7.48
Rot. Bonds9

About 4-[(4-tritylphenyl)methoxymethyl]benzoic acid

4-[(4-tritylphenyl)methoxymethyl]benzoic acid (PubChem CID 174525236) has the molecular formula C34H28O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[(4-tritylphenyl)methoxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-tritylphenyl)methoxymethyl]benzoic acid
PubChem CID174525236
Molecular FormulaC34H28O3
Molecular Weight484.60 g/mol
Exact Mass484.20
IUPAC Name4-[(4-tritylphenyl)methoxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COCc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H28O3/c35-33(36)28-20-16-26(17-21-28)24-37-25-27-18-22-32(23-19-27)34(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-23H,24-25H2,(H,35,36)
InChIKeyQZBIQQRADMWOHO-UHFFFAOYSA-N
XLogP7.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
bis(4-tritylbenzoic acid);1,4-xylene
CID 139197830
4-[[3-(hydroxymethyl)phenyl]methoxymethyl]benzoic acid
CID 146227717
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
CID 138632205
4-(2-oxoethoxymethyl)benzoic acid
CID 23344103
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
4-[1-(4-carboxyphenyl)-1,2-diphenylethyl]benzoic acid
CID 139678861
4-phenylmethoxybenzoic acid
CID 68896574

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tritylphenyl)methoxymethyl]benzoic acid?
The IUPAC name of 4-[(4-tritylphenyl)methoxymethyl]benzoic acid (CID 174525236) is 4-[(4-tritylphenyl)methoxymethyl]benzoic acid.
What is the SMILES notation for 4-[(4-tritylphenyl)methoxymethyl]benzoic acid?
The canonical SMILES for 4-[(4-tritylphenyl)methoxymethyl]benzoic acid is O=C(O)c1ccc(COCc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-tritylphenyl)methoxymethyl]benzoic acid?
The InChIKey is QZBIQQRADMWOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O3/c35-33(36)28-20-16-26(17-21-28)24-37-25-27-18-22-32(23-19-27)34(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-23H,24-25H2,(H,35,36).
What are the key properties of 4-[(4-tritylphenyl)methoxymethyl]benzoic acid?
4-[(4-tritylphenyl)methoxymethyl]benzoic acid has a molecular weight of 484.60 g/mol, XLogP of 7.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tritylphenyl)methoxymethyl]benzoic acid is sourced from PubChem (CID 174525236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).