2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran

C17H17ClO — CID 173089042

IUPAC2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccc(Cc2cccc3c2OC(Cl)C3)cc1
InChIInChI=1S/C17H17ClO/c1-2-12-6-8-13(9-7-12)10-14-4-3-5-15-11-16(18)19-17(14)15/h3-9,16H,2,10-11H2,1H3
InChIKeyHBFLHKSIDUGHGK-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.34
Rot. Bonds3

About 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran

2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 173089042) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID173089042
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCc1ccc(Cc2cccc3c2OC(Cl)C3)cc1
InChIInChI=1S/C17H17ClO/c1-2-12-6-8-13(9-7-12)10-14-4-3-5-15-11-16(18)19-17(14)15/h3-9,16H,2,10-11H2,1H3
InChIKeyHBFLHKSIDUGHGK-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 173089042) is 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran is CCc1ccc(Cc2cccc3c2OC(Cl)C3)cc1.
What is the InChIKey of 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is HBFLHKSIDUGHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-2-12-6-8-13(9-7-12)10-14-4-3-5-15-11-16(18)19-17(14)15/h3-9,16H,2,10-11H2,1H3.
What are the key properties of 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 272.78 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 173089042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).