4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride

C11H15Cl2NO2 — CID 171193448

IUPAC4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
SMILESCc1cc(Cl)cc([C@H]2COCCN2)c1O.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-7-4-8(12)5-9(11(7)14)10-6-15-3-2-13-10;/h4-5,10,13-14H,2-3,6H2,1H3;1H/t10-;/m1./s1
InChIKeyYLKDDFLMWWLMMX-HNCPQSOCSA-N
MW264.15 g/mol
LogP2.44
Rot. Bonds1

About 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride

4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride (PubChem CID 171193448) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
PubChem CID171193448
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
SMILESCc1cc(Cl)cc([C@H]2COCCN2)c1O.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-7-4-8(12)5-9(11(7)14)10-6-15-3-2-13-10;/h4-5,10,13-14H,2-3,6H2,1H3;1H/t10-;/m1./s1
InChIKeyYLKDDFLMWWLMMX-HNCPQSOCSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
3-(4-chloro-2,5-dimethylphenyl)morpholine
CID 84790642
5-chloro-2-morpholin-3-ylphenol
CID 82613253
3-(2,5-dichlorophenyl)morpholine
CID 126971180
2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192443
2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193472
2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192551
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol
CID 131483817

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride?
The IUPAC name of 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride (CID 171193448) is 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride.
What is the SMILES notation for 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride?
The canonical SMILES for 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride is Cc1cc(Cl)cc([C@H]2COCCN2)c1O.Cl.
What is the InChIKey of 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride?
The InChIKey is YLKDDFLMWWLMMX-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14ClNO2.ClH/c1-7-4-8(12)5-9(11(7)14)10-6-15-3-2-13-10;/h4-5,10,13-14H,2-3,6H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride?
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride has a molecular weight of 264.15 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride is sourced from PubChem (CID 171193448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).