1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid

C23H18O2 — CID 102167347

IUPAC1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)c2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C23H18O2/c24-23(25)21-15-20(16-9-3-1-4-10-16)18-13-7-8-14-19(18)22(21)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,24,25)
InChIKeyFAPFKIFNEHZAGH-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.11
Rot. Bonds3

About 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid

1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 102167347) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID102167347
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)c2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C23H18O2/c24-23(25)21-15-20(16-9-3-1-4-10-16)18-13-7-8-14-19(18)22(21)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,24,25)
InChIKeyFAPFKIFNEHZAGH-UHFFFAOYSA-N
XLogP5.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2,5-diphenylcyclohexa-1,3-diene-1,4-dicarboxylic acid
CID 67720503
1-methyl-3-phenyl-1H-indene-2-carboxylic acid
CID 177461610
3-phenyl-2,3-dihydroinden-1-imine
CID 89129841
7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene
CID 90884899
5-chloro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057864
2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102165445
5-fluoro-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057863
3-phenyl-1H-indene-2-carboxylate
CID 23222406
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
CID 144785467
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
CID 129405671
ethyl 1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 102165448

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 102167347) is 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid is O=C(O)C1=C(c2ccccc2)c2ccccc2C(c2ccccc2)C1.
What is the InChIKey of 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is FAPFKIFNEHZAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c24-23(25)21-15-20(16-9-3-1-4-10-16)18-13-7-8-14-19(18)22(21)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,24,25).
What are the key properties of 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid?
1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 102167347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).