5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid

C18H12O3 — CID 66875945

IUPAC5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)Cc1cc(O)c3ccccc3c1-2
InChIInChI=1S/C18H12O3/c19-16-9-12-8-11-7-10(18(20)21)5-6-13(11)17(12)15-4-2-1-3-14(15)16/h1-7,9,19H,8H2,(H,20,21)
InChIKeyBQOUJCKLENPVTI-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.81
Rot. Bonds1

About 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid

5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid (PubChem CID 66875945) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid
PubChem CID66875945
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)Cc1cc(O)c3ccccc3c1-2
InChIInChI=1S/C18H12O3/c19-16-9-12-8-11-7-10(18(20)21)5-6-13(11)17(12)15-4-2-1-3-14(15)16/h1-7,9,19H,8H2,(H,20,21)
InChIKeyBQOUJCKLENPVTI-UHFFFAOYSA-N
XLogP3.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid?
The IUPAC name of 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid (CID 66875945) is 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid.
What is the SMILES notation for 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid?
The canonical SMILES for 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid is O=C(O)c1ccc2c(c1)Cc1cc(O)c3ccccc3c1-2.
What is the InChIKey of 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid?
The InChIKey is BQOUJCKLENPVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c19-16-9-12-8-11-7-10(18(20)21)5-6-13(11)17(12)15-4-2-1-3-14(15)16/h1-7,9,19H,8H2,(H,20,21).
What are the key properties of 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid?
5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid is sourced from PubChem (CID 66875945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).