5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran

C17H17ClO — CID 63429922

IUPAC5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C(Cl)c2ccc3c(c2)CCO3)c(C)c1
InChIInChI=1S/C17H17ClO/c1-11-3-5-15(12(2)9-11)17(18)14-4-6-16-13(10-14)7-8-19-16/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyCDULHQZMACASDR-UHFFFAOYSA-N
MW272.77 g/mol
LogP4.57
Rot. Bonds2

About 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran

5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63429922) has the molecular formula C17H17ClO and a molecular weight of 272.77 g/mol. Its IUPAC name is 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63429922
Molecular FormulaC17H17ClO
Molecular Weight272.77 g/mol
Exact Mass272.10
IUPAC Name5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C(Cl)c2ccc3c(c2)CCO3)c(C)c1
InChIInChI=1S/C17H17ClO/c1-11-3-5-15(12(2)9-11)17(18)14-4-6-16-13(10-14)7-8-19-16/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyCDULHQZMACASDR-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 54.57
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

5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435190
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656
5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430264
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 63429922) is 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran is Cc1ccc(C(Cl)c2ccc3c(c2)CCO3)c(C)c1.
What is the InChIKey of 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is CDULHQZMACASDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-11-3-5-15(12(2)9-11)17(18)14-4-6-16-13(10-14)7-8-19-16/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 272.77 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63429922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).