3,4-dihydro-2H-chromene;hydron;iron;lanthanum

C9H11FeLaO+ — CID 175145681

IUPAC3,4-dihydro-2H-chromene;hydron;iron;lanthanum
SMILES[Fe].[H+].[La].c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O.Fe.La/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-2,4,6H,3,5,7H2;;/p+1
InChIKeyPPRYROQLQXKOCC-UHFFFAOYSA-O
MW329.94 g/mol
LogP2.12
Rot. Bonds

About 3,4-dihydro-2H-chromene;hydron;iron;lanthanum

3,4-dihydro-2H-chromene;hydron;iron;lanthanum (PubChem CID 175145681) has the molecular formula C9H11FeLaO+ and a molecular weight of 329.94 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene;hydron;iron;lanthanum.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene;hydron;iron;lanthanum
PubChem CID175145681
Molecular FormulaC9H11FeLaO+
Molecular Weight329.94 g/mol
Exact Mass329.92
IUPAC Name3,4-dihydro-2H-chromene;hydron;iron;lanthanum
SMILES[Fe].[H+].[La].c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O.Fe.La/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-2,4,6H,3,5,7H2;;/p+1
InChIKeyPPRYROQLQXKOCC-UHFFFAOYSA-O
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.94
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dihydro-2H-chromene;hydron;iron;lanthanum 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

3,4-dihydro-2H-chromene;ethane
CID 91076984
3,4-dihydro-2H-chromene;naphthalene
CID 144745299
3,4-dihydro-2H-chromene;formaldehyde
CID 142487263
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
strontium;3,4-dihydro-2H-chromene;hydride;oxolead
CID 173450529
calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium
CID 175276244
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 153343499
bis(3,4-dihydro-2H-chromene);pyridine
CID 172723174
3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
CID 158908593
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
3,4-dihydro-2H-chromene;1H-indene
CID 66618736
2,3-dihydro-1-benzofuran;ethane
CID 54441538

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene;hydron;iron;lanthanum?
The IUPAC name of 3,4-dihydro-2H-chromene;hydron;iron;lanthanum (CID 175145681) is 3,4-dihydro-2H-chromene;hydron;iron;lanthanum.
What is the SMILES notation for 3,4-dihydro-2H-chromene;hydron;iron;lanthanum?
The canonical SMILES for 3,4-dihydro-2H-chromene;hydron;iron;lanthanum is [Fe].[H+].[La].c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene;hydron;iron;lanthanum?
The InChIKey is PPRYROQLQXKOCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10O.Fe.La/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-2,4,6H,3,5,7H2;;/p+1.
What are the key properties of 3,4-dihydro-2H-chromene;hydron;iron;lanthanum?
3,4-dihydro-2H-chromene;hydron;iron;lanthanum has a molecular weight of 329.94 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene;hydron;iron;lanthanum is sourced from PubChem (CID 175145681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).