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

C17H17ClO — CID 63430181

IUPAC5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H17ClO/c1-2-12-3-5-13(6-4-12)17(18)15-7-8-16-14(11-15)9-10-19-16/h3-8,11,17H,2,9-10H2,1H3
InChIKeyQTNSABALXOXVKT-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.51
Rot. Bonds3

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

5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63430181) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63430181
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C17H17ClO/c1-2-12-3-5-13(6-4-12)17(18)15-7-8-16-14(11-15)9-10-19-16/h3-8,11,17H,2,9-10H2,1H3
InChIKeyQTNSABALXOXVKT-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.51
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-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
5-[chloro-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79084634
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
5-[chloro-(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79975052
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 63430181) is 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran is CCc1ccc(C(Cl)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is QTNSABALXOXVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-2-12-3-5-13(6-4-12)17(18)15-7-8-16-14(11-15)9-10-19-16/h3-8,11,17H,2,9-10H2,1H3.
What are the key properties of 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 272.78 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63430181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).