1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene

C16H17ClO — CID 66345692

IUPAC1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
SMILESCC1(C)C(Cl)CC1Oc1cccc2ccccc12
InChIInChI=1S/C16H17ClO/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,10H2,1-2H3
InChIKeyFTJKDYSMJDCSMO-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.62
Rot. Bonds2

About 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene

1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene (PubChem CID 66345692) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene.

Molecular Properties

Compound Name1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
PubChem CID66345692
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
SMILESCC1(C)C(Cl)CC1Oc1cccc2ccccc12
InChIInChI=1S/C16H17ClO/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,10H2,1-2H3
InChIKeyFTJKDYSMJDCSMO-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene 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 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene?
The IUPAC name of 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene (CID 66345692) is 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene.
What is the SMILES notation for 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene?
The canonical SMILES for 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene is CC1(C)C(Cl)CC1Oc1cccc2ccccc12.
What is the InChIKey of 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene?
The InChIKey is FTJKDYSMJDCSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,10H2,1-2H3.
What are the key properties of 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene?
1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene has a molecular weight of 260.76 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene is sourced from PubChem (CID 66345692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).