cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene

C25H28CoO6 — CID 158793119

IUPACcobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
SMILESC.Cc1ccc(C(=O)O)cc1.Cc1ccc(C)cc1.O=C(O)c1ccc(C(=O)O)cc1.[Co]
InChIInChI=1S/C8H6O4.C8H8O2.C8H10.CH4.Co/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-6-2-4-7(5-3-6)8(9)10;1-7-3-5-8(2)6-4-7;;/h1-4H,(H,9,10)(H,11,12);2-5H,1H3,(H,9,10);3-6H,1-2H3;1H4;
InChIKeyISNIWVGGOPSOCK-UHFFFAOYSA-N
MW483.43 g/mol
LogP5.71
Rot. Bonds3

About cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene

cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene (PubChem CID 158793119) has the molecular formula C25H28CoO6 and a molecular weight of 483.43 g/mol. Its IUPAC name is cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene.

Molecular Properties

Compound Namecobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
PubChem CID158793119
Molecular FormulaC25H28CoO6
Molecular Weight483.43 g/mol
Exact Mass483.12
IUPAC Namecobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
SMILESC.Cc1ccc(C(=O)O)cc1.Cc1ccc(C)cc1.O=C(O)c1ccc(C(=O)O)cc1.[Co]
InChIInChI=1S/C8H6O4.C8H8O2.C8H10.CH4.Co/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-6-2-4-7(5-3-6)8(9)10;1-7-3-5-8(2)6-4-7;;/h1-4H,(H,9,10)(H,11,12);2-5H,1H3,(H,9,10);3-6H,1-2H3;1H4;
InChIKeyISNIWVGGOPSOCK-UHFFFAOYSA-N
XLogP5.71
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.43
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene 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

alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
sodium 4-methylbenzoic acid
CID 164511663
acetic acid;4-methylbenzoic acid
CID 68925030
4-methylbenzoic acid;molecular nitrogen;hydrochloride
CID 174650579
benzoic acid;4-methylbenzoic acid
CID 71272637
acetaldehyde;4-methylbenzoic acid
CID 88694515
acetonitrile;4-methylbenzoic acid
CID 174694292
4-[(4-methylphenyl)disulfanyl]benzoic acid
CID 137384713
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
cobalt;nickel;terephthalic acid
CID 175016500

Frequently Asked Questions

What is the IUPAC name of cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene?
The IUPAC name of cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene (CID 158793119) is cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene.
What is the SMILES notation for cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene?
The canonical SMILES for cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene is C.Cc1ccc(C(=O)O)cc1.Cc1ccc(C)cc1.O=C(O)c1ccc(C(=O)O)cc1.[Co].
What is the InChIKey of cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene?
The InChIKey is ISNIWVGGOPSOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C8H8O2.C8H10.CH4.Co/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-6-2-4-7(5-3-6)8(9)10;1-7-3-5-8(2)6-4-7;;/h1-4H,(H,9,10)(H,11,12);2-5H,1H3,(H,9,10);3-6H,1-2H3;1H4;.
What are the key properties of cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene?
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene has a molecular weight of 483.43 g/mol, XLogP of 5.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene is sourced from PubChem (CID 158793119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).