2-[4-(3-chloropropoxy)phenyl]indolizine

C17H16ClNO — CID 18691034

IUPAC2-[4-(3-chloropropoxy)phenyl]indolizine
SMILESClCCCOc1ccc(-c2cc3ccccn3c2)cc1
InChIInChI=1S/C17H16ClNO/c18-9-3-11-20-17-7-5-14(6-8-17)15-12-16-4-1-2-10-19(16)13-15/h1-2,4-8,10,12-13H,3,9,11H2
InChIKeyAOAQPBBFRFWPCN-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.61
Rot. Bonds5

About 2-[4-(3-chloropropoxy)phenyl]indolizine

2-[4-(3-chloropropoxy)phenyl]indolizine (PubChem CID 18691034) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[4-(3-chloropropoxy)phenyl]indolizine.

Molecular Properties

Compound Name2-[4-(3-chloropropoxy)phenyl]indolizine
PubChem CID18691034
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name2-[4-(3-chloropropoxy)phenyl]indolizine
SMILESClCCCOc1ccc(-c2cc3ccccn3c2)cc1
InChIInChI=1S/C17H16ClNO/c18-9-3-11-20-17-7-5-14(6-8-17)15-12-16-4-1-2-10-19(16)13-15/h1-2,4-8,10,12-13H,3,9,11H2
InChIKeyAOAQPBBFRFWPCN-UHFFFAOYSA-N
XLogP4.61
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(3-chloropropoxy)benzene
CID 20523958
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
2-(3-chlorophenyl)indolizine
CID 868222
5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one
CID 67281749
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
bis[4-(2-chloroethoxy)phenyl]iodanium
CID 20582192
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
2-[4-(3-chloropropoxy)phenyl]-1-ethylquinolin-4-one
CID 155669740
1-[4-(2-chloroethoxy)phenyl]-3-nitrobenzene
CID 39376854
2-(2,4-dimethylphenyl)indolizine
CID 22425001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropropoxy)phenyl]indolizine?
The IUPAC name of 2-[4-(3-chloropropoxy)phenyl]indolizine (CID 18691034) is 2-[4-(3-chloropropoxy)phenyl]indolizine.
What is the SMILES notation for 2-[4-(3-chloropropoxy)phenyl]indolizine?
The canonical SMILES for 2-[4-(3-chloropropoxy)phenyl]indolizine is ClCCCOc1ccc(-c2cc3ccccn3c2)cc1.
What is the InChIKey of 2-[4-(3-chloropropoxy)phenyl]indolizine?
The InChIKey is AOAQPBBFRFWPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-9-3-11-20-17-7-5-14(6-8-17)15-12-16-4-1-2-10-19(16)13-15/h1-2,4-8,10,12-13H,3,9,11H2.
What are the key properties of 2-[4-(3-chloropropoxy)phenyl]indolizine?
2-[4-(3-chloropropoxy)phenyl]indolizine has a molecular weight of 285.77 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropropoxy)phenyl]indolizine is sourced from PubChem (CID 18691034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).