2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol

C11H14BrNO3 — CID 131429409

IUPAC2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
SMILESCOc1cc([C@@H]2COCCN2)cc(Br)c1O
InChIInChI=1S/C11H14BrNO3/c1-15-10-5-7(4-8(12)11(10)14)9-6-16-3-2-13-9/h4-5,9,13-14H,2-3,6H2,1H3/t9-/m0/s1
InChIKeyBBTXDASWKIZXIX-VIFPVBQESA-N
MW288.14 g/mol
LogP1.82
Rot. Bonds2

About 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol

2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol (PubChem CID 131429409) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
PubChem CID131429409
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
SMILESCOc1cc([C@@H]2COCCN2)cc(Br)c1O
InChIInChI=1S/C11H14BrNO3/c1-15-10-5-7(4-8(12)11(10)14)9-6-16-3-2-13-9/h4-5,9,13-14H,2-3,6H2,1H3/t9-/m0/s1
InChIKeyBBTXDASWKIZXIX-VIFPVBQESA-N
XLogP1.82
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338
2-methoxy-4-morpholin-3-yl-6-nitrophenol
CID 116987656
3-(3,4-difluoro-5-methoxyphenyl)morpholine
CID 84792610
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
3-(3,5-dibromophenyl)morpholine
CID 126971173
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
3-methoxy-4-morpholin-3-ylphenol
CID 130022201
2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol
CID 97288722

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol (CID 131429409) is 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol is COc1cc([C@@H]2COCCN2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol?
The InChIKey is BBTXDASWKIZXIX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-15-10-5-7(4-8(12)11(10)14)9-6-16-3-2-13-9/h4-5,9,13-14H,2-3,6H2,1H3/t9-/m0/s1.
What are the key properties of 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol?
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol has a molecular weight of 288.14 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol is sourced from PubChem (CID 131429409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).