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

C15H19ClO — CID 114826842

IUPAC4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane
SMILESCC1CC(C(Cl)c2ccc3c(c2)CCC3)CO1
InChIInChI=1S/C15H19ClO/c1-10-7-14(9-17-10)15(16)13-6-5-11-3-2-4-12(11)8-13/h5-6,8,10,14-15H,2-4,7,9H2,1H3
InChIKeyOYRODGRNFKQMLF-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.88
Rot. Bonds2

About 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane

4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane (PubChem CID 114826842) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane.

Molecular Properties

Compound Name4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane
PubChem CID114826842
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane
SMILESCC1CC(C(Cl)c2ccc3c(c2)CCC3)CO1
InChIInChI=1S/C15H19ClO/c1-10-7-14(9-17-10)15(16)13-6-5-11-3-2-4-12(11)8-13/h5-6,8,10,14-15H,2-4,7,9H2,1H3
InChIKeyOYRODGRNFKQMLF-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

4-[chloro-(4-phenylphenyl)methyl]-2-methyloxolane
CID 114826811
7-[chloro-(5-methyloxolan-3-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114826823
4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
CID 114826999
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826660
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol
CID 115806114
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
CID 82215293
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114194414
4-[(4-bromo-2,5-difluorophenyl)-chloromethyl]-2-methyloxolane
CID 114826991
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane?
The IUPAC name of 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane (CID 114826842) is 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane.
What is the SMILES notation for 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane?
The canonical SMILES for 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane is CC1CC(C(Cl)c2ccc3c(c2)CCC3)CO1.
What is the InChIKey of 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane?
The InChIKey is OYRODGRNFKQMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-10-7-14(9-17-10)15(16)13-6-5-11-3-2-4-12(11)8-13/h5-6,8,10,14-15H,2-4,7,9H2,1H3.
What are the key properties of 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane?
4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane has a molecular weight of 250.77 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2-methyloxolane is sourced from PubChem (CID 114826842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).