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

C19H15ClO — CID 63430345

IUPAC5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCO2)c1ccc2ccccc2c1
InChIInChI=1S/C19H15ClO/c20-19(17-7-8-18-15(12-17)9-10-21-18)16-6-5-13-3-1-2-4-14(13)11-16/h1-8,11-12,19H,9-10H2
InChIKeyRJJHUWGNAIJAFN-UHFFFAOYSA-N
MW294.78 g/mol
LogP5.10
Rot. Bonds2

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

5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63430345) has the molecular formula C19H15ClO and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63430345
Molecular FormulaC19H15ClO
Molecular Weight294.78 g/mol
Exact Mass294.08
IUPAC Name5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCO2)c1ccc2ccccc2c1
InChIInChI=1S/C19H15ClO/c20-19(17-7-8-18-15(12-17)9-10-21-18)16-6-5-13-3-1-2-4-14(13)11-16/h1-8,11-12,19H,9-10H2
InChIKeyRJJHUWGNAIJAFN-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.78
LogP ≤ 55.10
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(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-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61085337
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430473
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
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
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 134036096
5-[chloro-(6-fluoro-1-benzothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 81105629
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran (CID 63430345) is 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran is ClC(c1ccc2c(c1)CCO2)c1ccc2ccccc2c1.
What is the InChIKey of 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is RJJHUWGNAIJAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO/c20-19(17-7-8-18-15(12-17)9-10-21-18)16-6-5-13-3-1-2-4-14(13)11-16/h1-8,11-12,19H,9-10H2.
What are the key properties of 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 294.78 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63430345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).