2-[(4-benzylphenyl)methyl]benzoic acid

C21H18O2 — CID 150682144

IUPAC2-[(4-benzylphenyl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-21(23)20-9-5-4-8-19(20)15-18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,22,23)
InChIKeyJICFLPHANIPFCE-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.57
Rot. Bonds5

About 2-[(4-benzylphenyl)methyl]benzoic acid

2-[(4-benzylphenyl)methyl]benzoic acid (PubChem CID 150682144) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[(4-benzylphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-benzylphenyl)methyl]benzoic acid
PubChem CID150682144
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name2-[(4-benzylphenyl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C21H18O2/c22-21(23)20-9-5-4-8-19(20)15-18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,22,23)
InChIKeyJICFLPHANIPFCE-UHFFFAOYSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414
2-[[4-(2-phenylethynyl)phenyl]methyl]benzoic acid
CID 142972034
2-benzylbenzoic acid;1-iodo-2,3,4,5-tetramethylbenzene
CID 123134202
2-[(4-amino-3-hydroxyphenyl)methyl]benzoic acid
CID 175137098
2-[(2,6-dimethylphenyl)methyl]benzoic acid
CID 158215525
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
2-[(4-phenylphenyl)methyl]benzoate
CID 2290992
2-benzyl-4-fluorobenzoic acid
CID 68960960
1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 159247184
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973
2-amino-5-benzylbenzoic acid
CID 23538086

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylphenyl)methyl]benzoic acid?
The IUPAC name of 2-[(4-benzylphenyl)methyl]benzoic acid (CID 150682144) is 2-[(4-benzylphenyl)methyl]benzoic acid.
What is the SMILES notation for 2-[(4-benzylphenyl)methyl]benzoic acid?
The canonical SMILES for 2-[(4-benzylphenyl)methyl]benzoic acid is O=C(O)c1ccccc1Cc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4-benzylphenyl)methyl]benzoic acid?
The InChIKey is JICFLPHANIPFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c22-21(23)20-9-5-4-8-19(20)15-18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,22,23).
What are the key properties of 2-[(4-benzylphenyl)methyl]benzoic acid?
2-[(4-benzylphenyl)methyl]benzoic acid has a molecular weight of 302.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylphenyl)methyl]benzoic acid is sourced from PubChem (CID 150682144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).