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

C16H14Cl2O — CID 63429924

IUPAC5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C16H14Cl2O/c1-10-2-3-13(9-14(10)17)16(18)12-4-5-15-11(8-12)6-7-19-15/h2-5,8-9,16H,6-7H2,1H3
InChIKeyPTQPVBHSYKFYHA-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.91
Rot. Bonds2

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

5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63429924) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63429924
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1Cl
InChIInChI=1S/C16H14Cl2O/c1-10-2-3-13(9-14(10)17)16(18)12-4-5-15-11(8-12)6-7-19-15/h2-5,8-9,16H,6-7H2,1H3
InChIKeyPTQPVBHSYKFYHA-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.91
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-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
N-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 104721726
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430264
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430473
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 63429924) is 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran is Cc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1Cl.
What is the InChIKey of 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is PTQPVBHSYKFYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-10-2-3-13(9-14(10)17)16(18)12-4-5-15-11(8-12)6-7-19-15/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 293.19 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63429924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).