(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran

C9H9IO — CID 176929787

IUPAC(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cc(I)ccc2O1
InChIInChI=1S/C9H9IO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3/t6-/m1/s1
InChIKeyBCNKJZMMVYMTRI-ZCFIWIBFSA-N
MW260.07 g/mol
LogP2.61
Rot. Bonds

About (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran

(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 176929787) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID176929787
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cc(I)ccc2O1
InChIInChI=1S/C9H9IO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3/t6-/m1/s1
InChIKeyBCNKJZMMVYMTRI-ZCFIWIBFSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide
CID 63677632
5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
CID 83480135
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 79837439
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 82404450
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191

Frequently Asked Questions

What is the IUPAC name of (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran (CID 176929787) is (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran is C[C@@H]1Cc2cc(I)ccc2O1.
What is the InChIKey of (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is BCNKJZMMVYMTRI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9IO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran?
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 260.07 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 176929787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).