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

C17H17ClO — CID 63434026

IUPAC2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C)c(C(Cl)C2Cc3ccccc3O2)c1
InChIInChI=1S/C17H17ClO/c1-11-7-8-12(2)14(9-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16-17H,10H2,1-2H3
InChIKeyMJKJPSPSAASVCR-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.59
Rot. Bonds2

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

2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63434026) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63434026
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C)c(C(Cl)C2Cc3ccccc3O2)c1
InChIInChI=1S/C17H17ClO/c1-11-7-8-12(2)14(9-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16-17H,10H2,1-2H3
InChIKeyMJKJPSPSAASVCR-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.59
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-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 55198304
N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine
CID 43490812
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893771
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65297293
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79747393
2-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 79991267
2-[(2-bromo-4-methoxyphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63435447
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
[2,3-dihydro-1-benzofuran-2-yl-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105262926
2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
CID 43198601
2-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430500
2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methanamine
CID 106601159

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 63434026) is 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran is Cc1ccc(C)c(C(Cl)C2Cc3ccccc3O2)c1.
What is the InChIKey of 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is MJKJPSPSAASVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-11-7-8-12(2)14(9-11)17(18)16-10-13-5-3-4-6-15(13)19-16/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 272.78 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63434026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).