4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine

C16H24ClNO2 — CID 4141331

IUPAC4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine
SMILESCc1ccc(OCCCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H24ClNO2/c1-14-5-6-16(15(17)13-14)20-10-4-2-3-7-18-8-11-19-12-9-18/h5-6,13H,2-4,7-12H2,1H3
InChIKeyCSBCZTFCHKVEHH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.53
Rot. Bonds7

About 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine

4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine (PubChem CID 4141331) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine.

Molecular Properties

Compound Name4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine
PubChem CID4141331
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine
SMILESCc1ccc(OCCCCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H24ClNO2/c1-14-5-6-16(15(17)13-14)20-10-4-2-3-7-18-8-11-19-12-9-18/h5-6,13H,2-4,7-12H2,1H3
InChIKeyCSBCZTFCHKVEHH-UHFFFAOYSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine?
The IUPAC name of 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine (CID 4141331) is 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine.
What is the SMILES notation for 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine?
The canonical SMILES for 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine is Cc1ccc(OCCCCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine?
The InChIKey is CSBCZTFCHKVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-14-5-6-16(15(17)13-14)20-10-4-2-3-7-18-8-11-19-12-9-18/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine?
4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine has a molecular weight of 297.83 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chloro-4-methylphenoxy)pentyl]morpholine is sourced from PubChem (CID 4141331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).