3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane

C15H19ClO — CID 116871478

IUPAC3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane
SMILESClCCC1(c2ccc3c(c2)CCCC3)COC1
InChIInChI=1S/C15H19ClO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11H2
InChIKeyBRQFRORCXXXVLC-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.46
Rot. Bonds3

About 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane

3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane (PubChem CID 116871478) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane.

Molecular Properties

Compound Name3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane
PubChem CID116871478
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane
SMILESClCCC1(c2ccc3c(c2)CCCC3)COC1
InChIInChI=1S/C15H19ClO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11H2
InChIKeyBRQFRORCXXXVLC-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.46
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

2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869528
[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol
CID 116829694
3-(2-chloroethyl)-3-naphthalen-2-yloxetane
CID 116871549
[1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanol
CID 116963428
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
CID 116869677
3-(4-butan-2-ylphenyl)-3-(2-chloroethyl)oxetane
CID 116871483
3-(2,3-dihydro-1H-inden-5-yl)oxetane-3-carbonitrile
CID 116873126
3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439
[1-(2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanol
CID 83686763
2-[3-(3,4-dimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869633
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
[3-(3,4-dihydro-2H-thiochromen-6-yl)oxetan-3-yl]methanethiol
CID 116872505

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane?
The IUPAC name of 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane (CID 116871478) is 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane.
What is the SMILES notation for 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane?
The canonical SMILES for 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane is ClCCC1(c2ccc3c(c2)CCCC3)COC1.
What is the InChIKey of 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane?
The InChIKey is BRQFRORCXXXVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11H2.
What are the key properties of 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane?
3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane has a molecular weight of 250.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane is sourced from PubChem (CID 116871478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).