4-(2,3-diphenylpropyl)phthalic acid

C23H20O4 — CID 174539702

IUPAC4-(2,3-diphenylpropyl)phthalic acid
SMILESO=C(O)c1ccc(CC(Cc2ccccc2)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C23H20O4/c24-22(25)20-12-11-17(15-21(20)23(26)27)14-19(18-9-5-2-6-10-18)13-16-7-3-1-4-8-16/h1-12,15,19H,13-14H2,(H,24,25)(H,26,27)
InChIKeyHWMRKOAKLQIVHJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.65
Rot. Bonds7

About 4-(2,3-diphenylpropyl)phthalic acid

4-(2,3-diphenylpropyl)phthalic acid (PubChem CID 174539702) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(2,3-diphenylpropyl)phthalic acid.

Molecular Properties

Compound Name4-(2,3-diphenylpropyl)phthalic acid
PubChem CID174539702
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name4-(2,3-diphenylpropyl)phthalic acid
SMILESO=C(O)c1ccc(CC(Cc2ccccc2)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C23H20O4/c24-22(25)20-12-11-17(15-21(20)23(26)27)14-19(18-9-5-2-6-10-18)13-16-7-3-1-4-8-16/h1-12,15,19H,13-14H2,(H,24,25)(H,26,27)
InChIKeyHWMRKOAKLQIVHJ-UHFFFAOYSA-N
XLogP4.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
4-(4-hydroxyphenyl)-3-phenylbutanoic acid
CID 18772164
5,6-diphenylhexan-2-one
CID 134938963
4-(aminomethyl)phthalic acid;hydrochloride
CID 138040223
4-[[4-[1-[4-[(3,4-dicarboxyphenyl)methyl]phenyl]ethyl]phenyl]methyl]phthalic acid
CID 22709094
4-(2-carboxy-5-sulfanylpentyl)phthalic acid
CID 23534146
3-[2-phenyl-3-[3-(sulfinoamino)phenyl]propyl]benzoic acid
CID 56985380
2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diphenylpropyl)phthalic acid?
The IUPAC name of 4-(2,3-diphenylpropyl)phthalic acid (CID 174539702) is 4-(2,3-diphenylpropyl)phthalic acid.
What is the SMILES notation for 4-(2,3-diphenylpropyl)phthalic acid?
The canonical SMILES for 4-(2,3-diphenylpropyl)phthalic acid is O=C(O)c1ccc(CC(Cc2ccccc2)c2ccccc2)cc1C(=O)O.
What is the InChIKey of 4-(2,3-diphenylpropyl)phthalic acid?
The InChIKey is HWMRKOAKLQIVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c24-22(25)20-12-11-17(15-21(20)23(26)27)14-19(18-9-5-2-6-10-18)13-16-7-3-1-4-8-16/h1-12,15,19H,13-14H2,(H,24,25)(H,26,27).
What are the key properties of 4-(2,3-diphenylpropyl)phthalic acid?
4-(2,3-diphenylpropyl)phthalic acid has a molecular weight of 360.41 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diphenylpropyl)phthalic acid is sourced from PubChem (CID 174539702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).