4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid

C24H18O3 — CID 19027172

IUPAC4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C24H18O3/c25-24(26)20-13-19-14-21(27-16-17-7-3-1-4-8-17)11-12-22(19)23(15-20)18-9-5-2-6-10-18/h1-15H,16H2,(H,25,26)
InChIKeyUKBHCOJXXIXZMO-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.78
Rot. Bonds5

About 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid

4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid (PubChem CID 19027172) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid
PubChem CID19027172
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C24H18O3/c25-24(26)20-13-19-14-21(27-16-17-7-3-1-4-8-17)11-12-22(19)23(15-20)18-9-5-2-6-10-18/h1-15H,16H2,(H,25,26)
InChIKeyUKBHCOJXXIXZMO-UHFFFAOYSA-N
XLogP5.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid (CID 19027172) is 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid is O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1.
What is the InChIKey of 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid?
The InChIKey is UKBHCOJXXIXZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O3/c25-24(26)20-13-19-14-21(27-16-17-7-3-1-4-8-17)11-12-22(19)23(15-20)18-9-5-2-6-10-18/h1-15H,16H2,(H,25,26).
What are the key properties of 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid?
4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-phenylmethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 19027172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).