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

C15H19ClO — CID 63430096

IUPAC5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C15H19ClO/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,15H,1-5,8-9H2
InChIKeyGQEIVMOVLQNKGH-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.48
Rot. Bonds2

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

5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63430096) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63430096
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C15H19ClO/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,15H,1-5,8-9H2
InChIKeyGQEIVMOVLQNKGH-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.48
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

cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 107127425
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79763070
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
CID 114458684
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 54894336
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran (CID 63430096) is 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran is ClC(c1ccc2c(c1)CCO2)C1CCCCC1.
What is the InChIKey of 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is GQEIVMOVLQNKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c16-15(11-4-2-1-3-5-11)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,15H,1-5,8-9H2.
What are the key properties of 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 250.77 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63430096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).