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

C14H17ClO2 — CID 79763070

IUPAC5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESCC1OCCC1C(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17ClO2/c1-9-12(5-7-16-9)14(15)11-2-3-13-10(8-11)4-6-17-13/h2-3,8-9,12,14H,4-7H2,1H3
InChIKeyHCLPBNUGYQZBDR-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.33
Rot. Bonds2

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

5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 79763070) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID79763070
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESCC1OCCC1C(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17ClO2/c1-9-12(5-7-16-9)14(15)11-2-3-13-10(8-11)4-6-17-13/h2-3,8-9,12,14H,4-7H2,1H3
InChIKeyHCLPBNUGYQZBDR-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro-(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 79762893
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
3-[chloro-(4-methylphenyl)methyl]-2-methyloxolane
CID 79762541
5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 79762985
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 107127425
5-bromo-7-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543388
2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 61086355
[2,3-dihydro-1-benzofuran-5-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105333925
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
5-[chloro-(2-methyloxolan-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500878

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran (CID 79763070) is 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran is CC1OCCC1C(Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is HCLPBNUGYQZBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-12(5-7-16-9)14(15)11-2-3-13-10(8-11)4-6-17-13/h2-3,8-9,12,14H,4-7H2,1H3.
What are the key properties of 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 252.74 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79763070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).