2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid

C15H9FO3 — CID 174931024

IUPAC2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid
SMILESO=C(O)c1c(O)c2cc(F)ccc2c2ccccc12
InChIInChI=1S/C15H9FO3/c16-8-5-6-10-9-3-1-2-4-11(9)13(15(18)19)14(17)12(10)7-8/h1-7,17H,(H,18,19)
InChIKeyNPKKSSOYCGVRBX-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.54
Rot. Bonds1

About 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid

2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid (PubChem CID 174931024) has the molecular formula C15H9FO3 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid
PubChem CID174931024
Molecular FormulaC15H9FO3
Molecular Weight256.23 g/mol
Exact Mass256.05
IUPAC Name2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid
SMILESO=C(O)c1c(O)c2cc(F)ccc2c2ccccc12
InChIInChI=1S/C15H9FO3/c16-8-5-6-10-9-3-1-2-4-11(9)13(15(18)19)14(17)12(10)7-8/h1-7,17H,(H,18,19)
InChIKeyNPKKSSOYCGVRBX-UHFFFAOYSA-N
XLogP3.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 164534500
2-fluorotriphenylene
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2,3,5-trihydroxynaphthalene-1-carboxylic acid
CID 57055714
2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid
CID 90954227
6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid
CID 11448226
3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
CID 101198518
10-iodosylphenanthrene-9-carboxylic acid
CID 15181821
2,4-dimethylnaphthalene-1-carboxylic acid
CID 100912182
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
4-bromo-2-fluoronaphthalene-1-carboxylic acid
CID 170334354
2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
CID 14498162
2,5-difluoro-1-benzothiophene-3-carboxylic acid
CID 131191531

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid?
The IUPAC name of 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid (CID 174931024) is 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid.
What is the SMILES notation for 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid?
The canonical SMILES for 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid is O=C(O)c1c(O)c2cc(F)ccc2c2ccccc12.
What is the InChIKey of 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid?
The InChIKey is NPKKSSOYCGVRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO3/c16-8-5-6-10-9-3-1-2-4-11(9)13(15(18)19)14(17)12(10)7-8/h1-7,17H,(H,18,19).
What are the key properties of 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid?
2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid has a molecular weight of 256.23 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid is sourced from PubChem (CID 174931024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).