4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene

C16H15IO2 — CID 113451150

IUPAC4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESIc1ccccc1OCC1CCOc2ccccc21
InChIInChI=1S/C16H15IO2/c17-14-6-2-4-8-16(14)19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-8,12H,9-11H2
InChIKeyPSYKCWYVFCUGIN-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.24
Rot. Bonds3

About 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene

4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene (PubChem CID 113451150) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
PubChem CID113451150
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Name4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESIc1ccccc1OCC1CCOc2ccccc21
InChIInChI=1S/C16H15IO2/c17-14-6-2-4-8-16(14)19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-8,12H,9-11H2
InChIKeyPSYKCWYVFCUGIN-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene 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

2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
CID 107698362
4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768530
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768072
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768778
[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
CID 104768732

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene (CID 113451150) is 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene is Ic1ccccc1OCC1CCOc2ccccc21.
What is the InChIKey of 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is PSYKCWYVFCUGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c17-14-6-2-4-8-16(14)19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-8,12H,9-11H2.
What are the key properties of 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene?
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 366.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 113451150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).