(4S)-4-iodo-3,4-dihydro-2H-chromene

C9H9IO — CID 146562180

IUPAC(4S)-4-iodo-3,4-dihydro-2H-chromene
SMILESI[C@H]1CCOc2ccccc21
InChIInChI=1S/C9H9IO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyNVXYHEHKVWGTEM-QMMMGPOBSA-N
MW260.07 g/mol
LogP2.95
Rot. Bonds

About (4S)-4-iodo-3,4-dihydro-2H-chromene

(4S)-4-iodo-3,4-dihydro-2H-chromene (PubChem CID 146562180) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is (4S)-4-iodo-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(4S)-4-iodo-3,4-dihydro-2H-chromene
PubChem CID146562180
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name(4S)-4-iodo-3,4-dihydro-2H-chromene
SMILESI[C@H]1CCOc2ccccc21
InChIInChI=1S/C9H9IO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2/t8-/m0/s1
InChIKeyNVXYHEHKVWGTEM-QMMMGPOBSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 52.95
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

3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzoxepine
CID 13149080
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine
CID 57083074
(4S)-3,4-dihydro-2H-chromene-4-carbonitrile
CID 51669858
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
CID 156742889

Frequently Asked Questions

What is the IUPAC name of (4S)-4-iodo-3,4-dihydro-2H-chromene?
The IUPAC name of (4S)-4-iodo-3,4-dihydro-2H-chromene (CID 146562180) is (4S)-4-iodo-3,4-dihydro-2H-chromene.
What is the SMILES notation for (4S)-4-iodo-3,4-dihydro-2H-chromene?
The canonical SMILES for (4S)-4-iodo-3,4-dihydro-2H-chromene is I[C@H]1CCOc2ccccc21.
What is the InChIKey of (4S)-4-iodo-3,4-dihydro-2H-chromene?
The InChIKey is NVXYHEHKVWGTEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9IO/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2/t8-/m0/s1.
What are the key properties of (4S)-4-iodo-3,4-dihydro-2H-chromene?
(4S)-4-iodo-3,4-dihydro-2H-chromene has a molecular weight of 260.07 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-iodo-3,4-dihydro-2H-chromene is sourced from PubChem (CID 146562180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).