8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid

C17H10F2O3 — CID 58553519

IUPAC8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3c(F)ccc(O)c3F)c2c1
InChIInChI=1S/C17H10F2O3/c18-13-6-7-14(20)16(19)15(13)11-3-1-2-9-4-5-10(17(21)22)8-12(9)11/h1-8,20H,(H,21,22)
InChIKeyBPPNEQXVKYLUPS-UHFFFAOYSA-N
MW300.26 g/mol
LogP4.19
Rot. Bonds2

About 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid

8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid (PubChem CID 58553519) has the molecular formula C17H10F2O3 and a molecular weight of 300.26 g/mol. Its IUPAC name is 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid
PubChem CID58553519
Molecular FormulaC17H10F2O3
Molecular Weight300.26 g/mol
Exact Mass300.06
IUPAC Name8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(-c3c(F)ccc(O)c3F)c2c1
InChIInChI=1S/C17H10F2O3/c18-13-6-7-14(20)16(19)15(13)11-3-1-2-9-4-5-10(17(21)22)8-12(9)11/h1-8,20H,(H,21,22)
InChIKeyBPPNEQXVKYLUPS-UHFFFAOYSA-N
XLogP4.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553637
8-(2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553658
methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
CID 58553228
N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide
CID 58553330
8-(2,3-dichlorophenyl)naphthalene-2-carboxylic acid
CID 58553759
methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate
CID 58553526
1-(2-chloro-6-fluorophenyl)isoquinoline-7-carboxylic acid
CID 67960989
8-aminonaphthalene-2-carboxylic acid
CID 13440887
4-(2,6-difluoro-3-methylphenyl)-3-fluorobenzoic acid
CID 82822983
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide
CID 46865262
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid (CID 58553519) is 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cccc(-c3c(F)ccc(O)c3F)c2c1.
What is the InChIKey of 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid?
The InChIKey is BPPNEQXVKYLUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2O3/c18-13-6-7-14(20)16(19)15(13)11-3-1-2-9-4-5-10(17(21)22)8-12(9)11/h1-8,20H,(H,21,22).
What are the key properties of 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid?
8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid has a molecular weight of 300.26 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 58553519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).