[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone

C14H18ClNO3 — CID 107672999

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(CCl)OCC2C)ccc1O
InChIInChI=1S/C14H18ClNO3/c1-9-5-11(3-4-13(9)17)14(18)16-7-12(6-15)19-8-10(16)2/h3-5,10,12,17H,6-8H2,1-2H3
InChIKeyRVMGDPOZJABQBT-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.17
Rot. Bonds2

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 107672999) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
PubChem CID107672999
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(CCl)OCC2C)ccc1O
InChIInChI=1S/C14H18ClNO3/c1-9-5-11(3-4-13(9)17)14(18)16-7-12(6-15)19-8-10(16)2/h3-5,10,12,17H,6-8H2,1-2H3
InChIKeyRVMGDPOZJABQBT-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone (CID 107672999) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CC(CCl)OCC2C)ccc1O.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is RVMGDPOZJABQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9-5-11(3-4-13(9)17)14(18)16-7-12(6-15)19-8-10(16)2/h3-5,10,12,17H,6-8H2,1-2H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 283.75 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 107672999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).