8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid

C17H11FO3 — CID 58553637

IUPAC8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3cccc(F)c3O)c2c1
InChIInChI=1S/C17H11FO3/c18-15-6-2-5-13(16(15)19)12-4-1-3-10-7-8-11(17(20)21)9-14(10)12/h1-9,19H,(H,20,21)
InChIKeyHEBDKVVBYRSSGO-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.05
Rot. Bonds2

About 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid

8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid (PubChem CID 58553637) has the molecular formula C17H11FO3 and a molecular weight of 282.27 g/mol. Its IUPAC name is 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid
PubChem CID58553637
Molecular FormulaC17H11FO3
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3cccc(F)c3O)c2c1
InChIInChI=1S/C17H11FO3/c18-15-6-2-5-13(16(15)19)12-4-1-3-10-7-8-11(17(20)21)9-14(10)12/h1-9,19H,(H,20,21)
InChIKeyHEBDKVVBYRSSGO-UHFFFAOYSA-N
XLogP4.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553658
8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553519
2-fluoro-6-[7-(1-methoxyethenyl)naphthalen-1-yl]phenol
CID 70228737
8-(2,3-dichlorophenyl)naphthalene-2-carboxylic acid
CID 58553759
8-aminonaphthalene-2-carboxylic acid
CID 13440887
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
8-(4-chloro-2-fluorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553241
2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid
CID 122688052
4-(3-fluoro-2-methoxyphenyl)-3-(methoxymethyl)benzoic acid
CID 142711038
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
8-methylsulfinylnaphthalene-2-carboxylic acid
CID 126707128

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid (CID 58553637) is 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cccc(-c3cccc(F)c3O)c2c1.
What is the InChIKey of 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid?
The InChIKey is HEBDKVVBYRSSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO3/c18-15-6-2-5-13(16(15)19)12-4-1-3-10-7-8-11(17(20)21)9-14(10)12/h1-9,19H,(H,20,21).
What are the key properties of 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid?
8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid has a molecular weight of 282.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 58553637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).