4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid

C30H26O4 — CID 129294829

IUPAC4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid
SMILESCC(Cc1cccc(Cc2ccc(C(=O)O)cc2)c1)(c1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C30H26O4/c1-30(26-8-3-2-4-9-26,27-16-14-25(15-17-27)29(33)34)20-23-7-5-6-22(19-23)18-21-10-12-24(13-11-21)28(31)32/h2-17,19H,18,20H2,1H3,(H,31,32)(H,33,34)
InChIKeyUEEHGSITURXADH-UHFFFAOYSA-N
MW450.53 g/mol
LogP6.22
Rot. Bonds8

About 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid

4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid (PubChem CID 129294829) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid
PubChem CID129294829
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid
SMILESCC(Cc1cccc(Cc2ccc(C(=O)O)cc2)c1)(c1ccccc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C30H26O4/c1-30(26-8-3-2-4-9-26,27-16-14-25(15-17-27)29(33)34)20-23-7-5-6-22(19-23)18-21-10-12-24(13-11-21)28(31)32/h2-17,19H,18,20H2,1H3,(H,31,32)(H,33,34)
InChIKeyUEEHGSITURXADH-UHFFFAOYSA-N
XLogP6.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-carboxyphenyl)-1,2-diphenylethyl]benzoic acid
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4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
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CID 159252430
3-[(4-chlorophenyl)methyl]benzoic acid
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CID 63490073
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
2-(3-benzylphenyl)acetic acid
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4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
sodium 2-(4-benzylphenoxy)-3-(3-ethylphenyl)-2-methylpropanoate
CID 23670640
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
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CID 101265569

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid?
The IUPAC name of 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid (CID 129294829) is 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid?
The canonical SMILES for 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid is CC(Cc1cccc(Cc2ccc(C(=O)O)cc2)c1)(c1ccccc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid?
The InChIKey is UEEHGSITURXADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O4/c1-30(26-8-3-2-4-9-26,27-16-14-25(15-17-27)29(33)34)20-23-7-5-6-22(19-23)18-21-10-12-24(13-11-21)28(31)32/h2-17,19H,18,20H2,1H3,(H,31,32)(H,33,34).
What are the key properties of 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid?
4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid has a molecular weight of 450.53 g/mol, XLogP of 6.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(4-carboxyphenyl)-2-phenylpropyl]phenyl]methyl]benzoic acid is sourced from PubChem (CID 129294829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).