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

C18H17ClO — CID 63430140

IUPAC5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCC2)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H17ClO/c19-18(15-5-4-12-2-1-3-13(12)10-15)16-6-7-17-14(11-16)8-9-20-17/h4-7,10-11,18H,1-3,8-9H2
InChIKeyAJBLMWAZUXIAFL-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.44
Rot. Bonds2

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

5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63430140) has the molecular formula C18H17ClO and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63430140
Molecular FormulaC18H17ClO
Molecular Weight284.79 g/mol
Exact Mass284.10
IUPAC Name5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCC2)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H17ClO/c19-18(15-5-4-12-2-1-3-13(12)10-15)16-6-7-17-14(11-16)8-9-20-17/h4-7,10-11,18H,1-3,8-9H2
InChIKeyAJBLMWAZUXIAFL-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.44
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-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
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
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430473
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran (CID 63430140) is 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran is ClC(c1ccc2c(c1)CCC2)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is AJBLMWAZUXIAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO/c19-18(15-5-4-12-2-1-3-13(12)10-15)16-6-7-17-14(11-16)8-9-20-17/h4-7,10-11,18H,1-3,8-9H2.
What are the key properties of 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 284.79 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63430140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).