1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene

C15H21ClO — CID 114520237

IUPAC1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene
SMILESCC(Cl)CC(C)(C)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H21ClO/c1-11(16)10-15(2,3)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,11,14H,8-10H2,1-3H3
InChIKeyQSJKIWRTSJPNJK-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.52
Rot. Bonds5

About 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene

1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene (PubChem CID 114520237) has the molecular formula C15H21ClO and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene.

Molecular Properties

Compound Name1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene
PubChem CID114520237
Molecular FormulaC15H21ClO
Molecular Weight252.79 g/mol
Exact Mass252.13
IUPAC Name1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene
SMILESCC(Cl)CC(C)(C)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H21ClO/c1-11(16)10-15(2,3)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,11,14H,8-10H2,1-3H3
InChIKeyQSJKIWRTSJPNJK-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene 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-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene?
The IUPAC name of 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene (CID 114520237) is 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene.
What is the SMILES notation for 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene?
The canonical SMILES for 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene is CC(Cl)CC(C)(C)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene?
The InChIKey is QSJKIWRTSJPNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-11(16)10-15(2,3)12-4-6-13(7-5-12)17-14-8-9-14/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene?
1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene has a molecular weight of 252.79 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylpentan-2-yl)-4-cyclopropyloxybenzene is sourced from PubChem (CID 114520237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).