4-naphthalen-1-ylbenzoic acid

C17H12O2 — CID 2760151

IUPAC4-naphthalen-1-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C17H12O2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,18,19)
InChIKeyJLHKJIKIQYSZAZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.20
Rot. Bonds2

About 4-naphthalen-1-ylbenzoic acid

4-naphthalen-1-ylbenzoic acid (PubChem CID 2760151) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-naphthalen-1-ylbenzoic acid.

Molecular Properties

Compound Name4-naphthalen-1-ylbenzoic acid
PubChem CID2760151
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name4-naphthalen-1-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C17H12O2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,18,19)
InChIKeyJLHKJIKIQYSZAZ-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
4-(6-methylnaphthalen-1-yl)benzoic acid
CID 139920032
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
CID 102364058
4-(2,6-diphenylphenoxy)benzoic acid
CID 139330345
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
4-[2-(2-hydroxyethyl)phenyl]benzoic acid
CID 175206383
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-(4-naphthalen-1-ylphenoxy)-2-phenylpropanoic acid
CID 177379160
4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid
CID 147324175
4-(4-naphthalen-1-yltriazol-1-yl)benzoic acid
CID 66616177
[5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone
CID 56610073

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylbenzoic acid?
The IUPAC name of 4-naphthalen-1-ylbenzoic acid (CID 2760151) is 4-naphthalen-1-ylbenzoic acid.
What is the SMILES notation for 4-naphthalen-1-ylbenzoic acid?
The canonical SMILES for 4-naphthalen-1-ylbenzoic acid is O=C(O)c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-ylbenzoic acid?
The InChIKey is JLHKJIKIQYSZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,18,19).
What are the key properties of 4-naphthalen-1-ylbenzoic acid?
4-naphthalen-1-ylbenzoic acid has a molecular weight of 248.28 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylbenzoic acid is sourced from PubChem (CID 2760151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).