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

C19H19ClO — CID 107127425

IUPAC5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCO2)C1CCc2ccccc2C1
InChIInChI=1S/C19H19ClO/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/h1-4,7-8,12,16,19H,5-6,9-11H2
InChIKeyJVKNOTMLVFFQFE-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.71
Rot. Bonds2

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

5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 107127425) has the molecular formula C19H19ClO and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID107127425
Molecular FormulaC19H19ClO
Molecular Weight298.81 g/mol
Exact Mass298.11
IUPAC Name5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCO2)C1CCc2ccccc2C1
InChIInChI=1S/C19H19ClO/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/h1-4,7-8,12,16,19H,5-6,9-11H2
InChIKeyJVKNOTMLVFFQFE-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.71
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(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 61086355
2-[chloro-(3-chloro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127418
5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79763070
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
5-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(bromo)methyl]-2,3-dihydro-1-benzofuran
CID 66396358
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 66394364
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65041772
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran (CID 107127425) is 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran is ClC(c1ccc2c(c1)CCO2)C1CCc2ccccc2C1.
What is the InChIKey of 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is JVKNOTMLVFFQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO/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/h1-4,7-8,12,16,19H,5-6,9-11H2.
What are the key properties of 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 298.81 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 107127425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).