2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride

C18H30ClNO2 — CID 171192551

IUPAC2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
SMILESCC(C)(C)c1cc([C@@H]2COCCN2)c(O)c(C(C)(C)C)c1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-17(2,3)12-9-13(15-11-21-8-7-19-15)16(20)14(10-12)18(4,5)6;/h9-10,15,19-20H,7-8,11H2,1-6H3;1H/t15-;/m0./s1
InChIKeyXHTJAFFDZDPKFO-RSAXXLAASA-N
MW327.90 g/mol
LogP4.07
Rot. Bonds1

About 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride

2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride (PubChem CID 171192551) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
PubChem CID171192551
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
SMILESCC(C)(C)c1cc([C@@H]2COCCN2)c(O)c(C(C)(C)C)c1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-17(2,3)12-9-13(15-11-21-8-7-19-15)16(20)14(10-12)18(4,5)6;/h9-10,15,19-20H,7-8,11H2,1-6H3;1H/t15-;/m0./s1
InChIKeyXHTJAFFDZDPKFO-RSAXXLAASA-N
XLogP4.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.07
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-bromo-2-[(3R)-morpholin-3-yl]-6-(trifluoromethyl)phenol
CID 171259729
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193472
2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192443
2,4-ditert-butyl-6-(1,3-dioxolan-2-yl)phenol
CID 170873937
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol
CID 131483817
2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
CID 171259740
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
2-[(3S)-morpholin-3-yl]benzene-1,3,5-triol;hydrochloride
CID 171193502
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The IUPAC name of 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride (CID 171192551) is 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride.
What is the SMILES notation for 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The canonical SMILES for 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride is CC(C)(C)c1cc([C@@H]2COCCN2)c(O)c(C(C)(C)C)c1.Cl.
What is the InChIKey of 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The InChIKey is XHTJAFFDZDPKFO-RSAXXLAASA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-17(2,3)12-9-13(15-11-21-8-7-19-15)16(20)14(10-12)18(4,5)6;/h9-10,15,19-20H,7-8,11H2,1-6H3;1H/t15-;/m0./s1.
What are the key properties of 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride?
2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride is sourced from PubChem (CID 171192551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).