[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol

C14H20BrNO4 — CID 79171963

IUPAC[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCC1CN(C)CCO1
InChIInChI=1S/C14H20BrNO4/c1-16-3-4-19-11(7-16)9-20-14-12(15)5-10(8-17)6-13(14)18-2/h5-6,11,17H,3-4,7-9H2,1-2H3
InChIKeyUUJGFZNKTSURLK-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.66
Rot. Bonds5

About [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol

[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol (PubChem CID 79171963) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
PubChem CID79171963
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCC1CN(C)CCO1
InChIInChI=1S/C14H20BrNO4/c1-16-3-4-19-11(7-16)9-20-14-12(15)5-10(8-17)6-13(14)18-2/h5-6,11,17H,3-4,7-9H2,1-2H3
InChIKeyUUJGFZNKTSURLK-UHFFFAOYSA-N
XLogP1.66
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]benzaldehyde
CID 79172323
[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162786
[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166947
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743
3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79171337
1-[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 79172273
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43622329
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
CID 79172447
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43622408
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
CID 63936239

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol (CID 79171963) is [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol is COc1cc(CO)cc(Br)c1OCC1CN(C)CCO1.
What is the InChIKey of [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol?
The InChIKey is UUJGFZNKTSURLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-16-3-4-19-11(7-16)9-20-14-12(15)5-10(8-17)6-13(14)18-2/h5-6,11,17H,3-4,7-9H2,1-2H3.
What are the key properties of [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol?
[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol has a molecular weight of 346.22 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 79171963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).