[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone

C13H16ClNO3 — CID 107673227

IUPAC[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCOCC2CCl)ccc1O
InChIInChI=1S/C13H16ClNO3/c1-9-6-10(2-3-12(9)16)13(17)15-4-5-18-8-11(15)7-14/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeyVDZUQKOFYFHGNV-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.78
Rot. Bonds2

About [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone

[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 107673227) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
PubChem CID107673227
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCOCC2CCl)ccc1O
InChIInChI=1S/C13H16ClNO3/c1-9-6-10(2-3-12(9)16)13(17)15-4-5-18-8-11(15)7-14/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeyVDZUQKOFYFHGNV-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107672999
[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 115270840
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
[3-(chloromethyl)morpholin-4-yl]-(2,4-dibromophenyl)methanone
CID 107941454
[2-(chloromethyl)azepan-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 116639245
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673392
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone (CID 107673227) is [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCOCC2CCl)ccc1O.
What is the InChIKey of [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is VDZUQKOFYFHGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9-6-10(2-3-12(9)16)13(17)15-4-5-18-8-11(15)7-14/h2-3,6,11,16H,4-5,7-8H2,1H3.
What are the key properties of [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone?
[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 269.73 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 107673227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).