5-iodoanthracene-1-carboxylic acid

C15H9IO2 — CID 139609518

IUPAC5-iodoanthracene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc3c(I)cccc3cc12
InChIInChI=1S/C15H9IO2/c16-14-6-2-4-10-7-12-9(8-13(10)14)3-1-5-11(12)15(17)18/h1-8H,(H,17,18)
InChIKeyLUPXTXWFLHMUKU-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.30
Rot. Bonds1

About 5-iodoanthracene-1-carboxylic acid

5-iodoanthracene-1-carboxylic acid (PubChem CID 139609518) has the molecular formula C15H9IO2 and a molecular weight of 348.14 g/mol. Its IUPAC name is 5-iodoanthracene-1-carboxylic acid.

Molecular Properties

Compound Name5-iodoanthracene-1-carboxylic acid
PubChem CID139609518
Molecular FormulaC15H9IO2
Molecular Weight348.14 g/mol
Exact Mass347.96
IUPAC Name5-iodoanthracene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc3c(I)cccc3cc12
InChIInChI=1S/C15H9IO2/c16-14-6-2-4-10-7-12-9(8-13(10)14)3-1-5-11(12)15(17)18/h1-8H,(H,17,18)
InChIKeyLUPXTXWFLHMUKU-UHFFFAOYSA-N
XLogP4.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-iodoanthracene-1-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

5-[(5-carboxyanthracen-1-yl)methyl]anthracene-1-carboxylic acid
CID 88959445
6,7-difluoronaphthalene-1-carboxylic acid
CID 10856682
lithium;hydride;3-iodo-2-iodooxybenzoic acid
CID 173171906
3-iodo-2-trimethylsilyloxybenzoic acid
CID 167722923
6-chloronaphthalene-1-carboxylic acid
CID 13288328
6-ethynylnaphthalene-1-carboxylic acid
CID 22338976
lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride
CID 175209513
6-cyanonaphthalene-1-carboxylic acid
CID 22622245
7-ethynylnaphthalene-1,6-dicarboxylic acid
CID 22140191
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
3-iodonaphthalene-2-carboxylic acid
CID 11460714
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954

Frequently Asked Questions

What is the IUPAC name of 5-iodoanthracene-1-carboxylic acid?
The IUPAC name of 5-iodoanthracene-1-carboxylic acid (CID 139609518) is 5-iodoanthracene-1-carboxylic acid.
What is the SMILES notation for 5-iodoanthracene-1-carboxylic acid?
The canonical SMILES for 5-iodoanthracene-1-carboxylic acid is O=C(O)c1cccc2cc3c(I)cccc3cc12.
What is the InChIKey of 5-iodoanthracene-1-carboxylic acid?
The InChIKey is LUPXTXWFLHMUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IO2/c16-14-6-2-4-10-7-12-9(8-13(10)14)3-1-5-11(12)15(17)18/h1-8H,(H,17,18).
What are the key properties of 5-iodoanthracene-1-carboxylic acid?
5-iodoanthracene-1-carboxylic acid has a molecular weight of 348.14 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodoanthracene-1-carboxylic acid is sourced from PubChem (CID 139609518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).