3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate

C15H19ClO2 — CID 174674888

IUPAC3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate
SMILESCC1C(C)C1CCCOC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClO2/c1-10-11(2)14(10)7-4-8-18-15(17)12-5-3-6-13(16)9-12/h3,5-6,9-11,14H,4,7-8H2,1-2H3
InChIKeyHHZPSZPTGSRUKG-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.18
Rot. Bonds5

About 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate

3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate (PubChem CID 174674888) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate.

Molecular Properties

Compound Name3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate
PubChem CID174674888
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate
SMILESCC1C(C)C1CCCOC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClO2/c1-10-11(2)14(10)7-4-8-18-15(17)12-5-3-6-13(16)9-12/h3,5-6,9-11,14H,4,7-8H2,1-2H3
InChIKeyHHZPSZPTGSRUKG-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octyl 3-chlorobenzoate
CID 527808
4-bromobutyl 3-chlorobenzoate
CID 12029497
4-(1,2-dimethylcyclopropyl)butyl 3-chlorobenzoate
CID 174674855
2-bromoethyl 3-chlorobenzoate
CID 21411127
2-propoxyethyl 3-chlorobenzoate
CID 71145499
(2-methylcyclopropyl)methyl 3-chlorobenzoate
CID 86890031
2-(propylamino)ethyl 3-chlorobenzoate
CID 82532787
2-(2-methylpropoxy)ethyl 3-chlorobenzoate
CID 71145273
propyl 3-(3-chlorobenzoyl)oxybenzoate
CID 17169663
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
bis(3-chloropropyl) benzene-1,3-dicarboxylate
CID 101326811
3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate
CID 23125966

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate?
The IUPAC name of 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate (CID 174674888) is 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate.
What is the SMILES notation for 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate?
The canonical SMILES for 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate is CC1C(C)C1CCCOC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate?
The InChIKey is HHZPSZPTGSRUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-10-11(2)14(10)7-4-8-18-15(17)12-5-3-6-13(16)9-12/h3,5-6,9-11,14H,4,7-8H2,1-2H3.
What are the key properties of 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate?
3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate has a molecular weight of 266.77 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclopropyl)propyl 3-chlorobenzoate is sourced from PubChem (CID 174674888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).