4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one

C12H14ClNO3 — CID 115102818

IUPAC4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
SMILESO=C1COCC(CO)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)5-14-11(6-15)7-17-8-12(14)16/h1-4,11,15H,5-8H2
InChIKeyQUZYBEOEWLGEBW-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.06
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one

4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one (PubChem CID 115102818) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
PubChem CID115102818
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
SMILESO=C1COCC(CO)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)5-14-11(6-15)7-17-8-12(14)16/h1-4,11,15H,5-8H2
InChIKeyQUZYBEOEWLGEBW-UHFFFAOYSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102785
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713
5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060562
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(5S)-5-amino-4-benzylmorpholin-3-one
CID 68600910
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060253
5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one (CID 115102818) is 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one is O=C1COCC(CO)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one?
The InChIKey is QUZYBEOEWLGEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)5-14-11(6-15)7-17-8-12(14)16/h1-4,11,15H,5-8H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one?
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one has a molecular weight of 255.70 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 115102818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).