2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane

C15H19ClO — CID 55091627

IUPAC2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
SMILESClC1c2ccccc2CCC1CC1CCCO1
InChIInChI=1S/C15H19ClO/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-2,4,6,12-13,15H,3,5,7-10H2
InChIKeyKIBBIVUFGFIUQE-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.10
Rot. Bonds2

About 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane

2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane (PubChem CID 55091627) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane.

Molecular Properties

Compound Name2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
PubChem CID55091627
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane
SMILESClC1c2ccccc2CCC1CC1CCCO1
InChIInChI=1S/C15H19ClO/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-2,4,6,12-13,15H,3,5,7-10H2
InChIKeyKIBBIVUFGFIUQE-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane?
The IUPAC name of 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane (CID 55091627) is 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane.
What is the SMILES notation for 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane?
The canonical SMILES for 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane is ClC1c2ccccc2CCC1CC1CCCO1.
What is the InChIKey of 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane?
The InChIKey is KIBBIVUFGFIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-2,4,6,12-13,15H,3,5,7-10H2.
What are the key properties of 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane?
2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane has a molecular weight of 250.77 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]oxolane is sourced from PubChem (CID 55091627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).