(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene

C10H11IO — CID 92908096

IUPAC(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
SMILESIC[C@@H]1CCOc2ccccc21
InChIInChI=1S/C10H11IO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2/t8-/m0/s1
InChIKeyWUBBCYRDJZNINH-QMMMGPOBSA-N
MW274.10 g/mol
LogP2.99
Rot. Bonds1

About (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene

(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene (PubChem CID 92908096) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
PubChem CID92908096
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
SMILESIC[C@@H]1CCOc2ccccc21
InChIInChI=1S/C10H11IO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2/t8-/m0/s1
InChIKeyWUBBCYRDJZNINH-QMMMGPOBSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
3-(3,4-dihydro-2H-chromen-4-yl)propanal
CID 104771097
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
4-(3,4-dihydro-2H-chromen-4-yl)-1-iodobutan-1-amine
CID 118889673
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115757039

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene (CID 92908096) is (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene is IC[C@@H]1CCOc2ccccc21.
What is the InChIKey of (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene?
The InChIKey is WUBBCYRDJZNINH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11IO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2/t8-/m0/s1.
What are the key properties of (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene?
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene has a molecular weight of 274.10 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 92908096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).