2-(8-bromonaphthalen-1-yl)benzoic acid

C17H11BrO2 — CID 102060939

IUPAC2-(8-bromonaphthalen-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc2cccc(Br)c12
InChIInChI=1S/C17H11BrO2/c18-15-10-4-6-11-5-3-9-13(16(11)15)12-7-1-2-8-14(12)17(19)20/h1-10H,(H,19,20)
InChIKeyROJKLTULKKDSII-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.97
Rot. Bonds2

About 2-(8-bromonaphthalen-1-yl)benzoic acid

2-(8-bromonaphthalen-1-yl)benzoic acid (PubChem CID 102060939) has the molecular formula C17H11BrO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-(8-bromonaphthalen-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(8-bromonaphthalen-1-yl)benzoic acid
PubChem CID102060939
Molecular FormulaC17H11BrO2
Molecular Weight327.18 g/mol
Exact Mass325.99
IUPAC Name2-(8-bromonaphthalen-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc2cccc(Br)c12
InChIInChI=1S/C17H11BrO2/c18-15-10-4-6-11-5-3-9-13(16(11)15)12-7-1-2-8-14(12)17(19)20/h1-10H,(H,19,20)
InChIKeyROJKLTULKKDSII-UHFFFAOYSA-N
XLogP4.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
8-bromo-1-fluoronaphthalene-2-carboxylic acid
CID 115050077
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
tris(8-bromonaphthalene-1-carboxylate);indium(3+)
CID 22604448
[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
CID 166012594
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
coronene;phthalic acid
CID 174757958
8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
CID 175733393

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromonaphthalen-1-yl)benzoic acid?
The IUPAC name of 2-(8-bromonaphthalen-1-yl)benzoic acid (CID 102060939) is 2-(8-bromonaphthalen-1-yl)benzoic acid.
What is the SMILES notation for 2-(8-bromonaphthalen-1-yl)benzoic acid?
The canonical SMILES for 2-(8-bromonaphthalen-1-yl)benzoic acid is O=C(O)c1ccccc1-c1cccc2cccc(Br)c12.
What is the InChIKey of 2-(8-bromonaphthalen-1-yl)benzoic acid?
The InChIKey is ROJKLTULKKDSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO2/c18-15-10-4-6-11-5-3-9-13(16(11)15)12-7-1-2-8-14(12)17(19)20/h1-10H,(H,19,20).
What are the key properties of 2-(8-bromonaphthalen-1-yl)benzoic acid?
2-(8-bromonaphthalen-1-yl)benzoic acid has a molecular weight of 327.18 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromonaphthalen-1-yl)benzoic acid is sourced from PubChem (CID 102060939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).