[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride

C12H16ClNO3 — CID 118953500

IUPAC[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCOC[C@H]1CO
InChIInChI=1S/C12H15NO3.ClH/c14-8-11-9-16-7-6-13(11)12(15)10-4-2-1-3-5-10;/h1-5,11,14H,6-9H2;1H/t11-;/m1./s1
InChIKeyBDHBKIXJCKPABP-RFVHGSKJSA-N
MW257.72 g/mol
LogP0.94
Rot. Bonds2

About [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride

[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride (PubChem CID 118953500) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
PubChem CID118953500
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCOC[C@H]1CO
InChIInChI=1S/C12H15NO3.ClH/c14-8-11-9-16-7-6-13(11)12(15)10-4-2-1-3-5-10;/h1-5,11,14H,6-9H2;1H/t11-;/m1./s1
InChIKeyBDHBKIXJCKPABP-RFVHGSKJSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
4-[(3S)-3-(hydroxymethyl)morpholine-4-carbonyl]benzonitrile
CID 97040212
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831
[3-(2-fluorophenyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 91790121
3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
CID 166772263
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994
[3,5-bis(trifluoromethyl)phenyl]-[(3S)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040164
[3,5-bis(trifluoromethyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 71785811
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone
CID 118793260

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride (CID 118953500) is [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride is Cl.O=C(c1ccccc1)N1CCOC[C@H]1CO.
What is the InChIKey of [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride?
The InChIKey is BDHBKIXJCKPABP-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c14-8-11-9-16-7-6-13(11)12(15)10-4-2-1-3-5-10;/h1-5,11,14H,6-9H2;1H/t11-;/m1./s1.
What are the key properties of [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride?
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 118953500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).