1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid

C26H22O2 — CID 158713023

IUPAC1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(-c2ccccc2)c2c(-c3ccccc3)cccc12
InChIInChI=1S/C26H22O2/c1-17(2)22-16-23(26(27)28)24(19-12-7-4-8-13-19)25-20(14-9-15-21(22)25)18-10-5-3-6-11-18/h3-17H,1-2H3,(H,27,28)
InChIKeyIIYSHLVMJFZKKV-UHFFFAOYSA-N
MW366.46 g/mol
LogP7.00
Rot. Bonds4

About 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid

1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid (PubChem CID 158713023) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid
PubChem CID158713023
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(-c2ccccc2)c2c(-c3ccccc3)cccc12
InChIInChI=1S/C26H22O2/c1-17(2)22-16-23(26(27)28)24(19-12-7-4-8-13-19)25-20(14-9-15-21(22)25)18-10-5-3-6-11-18/h3-17H,1-2H3,(H,27,28)
InChIKeyIIYSHLVMJFZKKV-UHFFFAOYSA-N
XLogP7.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
2-phenyl-3,4-di(propan-2-yl)benzoic acid
CID 70035645
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid
CID 116533425
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylphenyl)ethanone
CID 176753550
1-(3-phenyl-2-propan-2-ylphenyl)ethanone
CID 139652419

Frequently Asked Questions

What is the IUPAC name of 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid (CID 158713023) is 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid is CC(C)c1cc(C(=O)O)c(-c2ccccc2)c2c(-c3ccccc3)cccc12.
What is the InChIKey of 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid?
The InChIKey is IIYSHLVMJFZKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-17(2)22-16-23(26(27)28)24(19-12-7-4-8-13-19)25-20(14-9-15-21(22)25)18-10-5-3-6-11-18/h3-17H,1-2H3,(H,27,28).
What are the key properties of 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid?
1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 158713023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).