5-(chloromethyl)-2,3-dihydro-1-benzofuran

C9H9ClO — CID 11789614

IUPAC5-(chloromethyl)-2,3-dihydro-1-benzofuran
SMILESClCc1ccc2c(c1)CCO2
InChIInChI=1S/C9H9ClO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6H2
InChIKeySWPANFDAIKLKBD-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.36
Rot. Bonds1

About 5-(chloromethyl)-2,3-dihydro-1-benzofuran

5-(chloromethyl)-2,3-dihydro-1-benzofuran (PubChem CID 11789614) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 5-(chloromethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(chloromethyl)-2,3-dihydro-1-benzofuran
PubChem CID11789614
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name5-(chloromethyl)-2,3-dihydro-1-benzofuran
SMILESClCc1ccc2c(c1)CCO2
InChIInChI=1S/C9H9ClO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6H2
InChIKeySWPANFDAIKLKBD-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
4-(chloromethyl)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazole
CID 121208805
5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
CID 104545326
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
5-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141276691
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(chloromethyl)-2,3-dihydro-1-benzofuran (CID 11789614) is 5-(chloromethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(chloromethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(chloromethyl)-2,3-dihydro-1-benzofuran is ClCc1ccc2c(c1)CCO2.
What is the InChIKey of 5-(chloromethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is SWPANFDAIKLKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6H2.
What are the key properties of 5-(chloromethyl)-2,3-dihydro-1-benzofuran?
5-(chloromethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 168.62 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 11789614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).