[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol

C15H21BrClNO3 — CID 114779623

IUPAC[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(CCOc2ccc(Cl)cc2Br)CC(CO)O1
InChIInChI=1S/C15H21BrClNO3/c1-15(2)10-18(8-12(9-19)21-15)5-6-20-14-4-3-11(17)7-13(14)16/h3-4,7,12,19H,5-6,8-10H2,1-2H3
InChIKeyBIZKDKVVCSBBCT-UHFFFAOYSA-N
MW378.69 g/mol
LogP2.95
Rot. Bonds5

About [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779623) has the molecular formula C15H21BrClNO3 and a molecular weight of 378.69 g/mol. Its IUPAC name is [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779623
Molecular FormulaC15H21BrClNO3
Molecular Weight378.69 g/mol
Exact Mass377.04
IUPAC Name[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(CCOc2ccc(Cl)cc2Br)CC(CO)O1
InChIInChI=1S/C15H21BrClNO3/c1-15(2)10-18(8-12(9-19)21-15)5-6-20-14-4-3-11(17)7-13(14)16/h3-4,7,12,19H,5-6,8-10H2,1-2H3
InChIKeyBIZKDKVVCSBBCT-UHFFFAOYSA-N
XLogP2.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779623) is [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(CCOc2ccc(Cl)cc2Br)CC(CO)O1.
What is the InChIKey of [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is BIZKDKVVCSBBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO3/c1-15(2)10-18(8-12(9-19)21-15)5-6-20-14-4-3-11(17)7-13(14)16/h3-4,7,12,19H,5-6,8-10H2,1-2H3.
What are the key properties of [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 378.69 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).