4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene

C11H13ClO — CID 130057373

IUPAC4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene
SMILESCc1cc(CCl)ccc1OC1CC1
InChIInChI=1S/C11H13ClO/c1-8-6-9(7-12)2-5-11(8)13-10-3-4-10/h2,5-6,10H,3-4,7H2,1H3
InChIKeyKQIHZAMHIIZQKV-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.28
Rot. Bonds3

About 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene

4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene (PubChem CID 130057373) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene.

Molecular Properties

Compound Name4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene
PubChem CID130057373
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene
SMILESCc1cc(CCl)ccc1OC1CC1
InChIInChI=1S/C11H13ClO/c1-8-6-9(7-12)2-5-11(8)13-10-3-4-10/h2,5-6,10H,3-4,7H2,1H3
InChIKeyKQIHZAMHIIZQKV-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene 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 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene?
The IUPAC name of 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene (CID 130057373) is 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene.
What is the SMILES notation for 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene?
The canonical SMILES for 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene is Cc1cc(CCl)ccc1OC1CC1.
What is the InChIKey of 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene?
The InChIKey is KQIHZAMHIIZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-8-6-9(7-12)2-5-11(8)13-10-3-4-10/h2,5-6,10H,3-4,7H2,1H3.
What are the key properties of 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene?
4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene has a molecular weight of 196.68 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-cyclopropyloxy-2-methylbenzene is sourced from PubChem (CID 130057373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).