4-chloro-5-methyl-2,3-dihydro-1-benzofuran

C9H9ClO — CID 89474128

IUPAC4-chloro-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1Cl)CCO2
InChIInChI=1S/C9H9ClO/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-3H,4-5H2,1H3
InChIKeyQMIKWZSMUHQOOR-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.58
Rot. Bonds

About 4-chloro-5-methyl-2,3-dihydro-1-benzofuran

4-chloro-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 89474128) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 4-chloro-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-chloro-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID89474128
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name4-chloro-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1Cl)CCO2
InChIInChI=1S/C9H9ClO/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-3H,4-5H2,1H3
InChIKeyQMIKWZSMUHQOOR-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461
5-bromo-4-chloro-2,3-dihydro-1-benzofuran
CID 82374686
4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
CID 159534872
4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
CID 88975705
2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol
CID 117283160
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117281496
1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
CID 117309972
N-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)acetamide
CID 151540497
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine
CID 153376900
4,6-dimethyl-2,3-dihydro-1-benzofuran
CID 23113841
7-methyl-2,3,4,5-tetrahydro-1-benzoxepine-6-carbonitrile
CID 101424758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-chloro-5-methyl-2,3-dihydro-1-benzofuran (CID 89474128) is 4-chloro-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-chloro-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-chloro-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1Cl)CCO2.
What is the InChIKey of 4-chloro-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is QMIKWZSMUHQOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-3H,4-5H2,1H3.
What are the key properties of 4-chloro-5-methyl-2,3-dihydro-1-benzofuran?
4-chloro-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 168.62 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 89474128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).