(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol

C14H18BrClFNO2 — CID 106762104

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCC(C)N1CCOC(C(O)c2ccc(Br)c(Cl)c2F)C1
InChIInChI=1S/C14H18BrClFNO2/c1-8(2)18-5-6-20-11(7-18)14(19)9-3-4-10(15)12(16)13(9)17/h3-4,8,11,14,19H,5-7H2,1-2H3
InChIKeyOCTPOMSEUHDMAT-UHFFFAOYSA-N
MW366.66 g/mol
LogP3.38
Rot. Bonds3

About (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol (PubChem CID 106762104) has the molecular formula C14H18BrClFNO2 and a molecular weight of 366.66 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
PubChem CID106762104
Molecular FormulaC14H18BrClFNO2
Molecular Weight366.66 g/mol
Exact Mass365.02
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCC(C)N1CCOC(C(O)c2ccc(Br)c(Cl)c2F)C1
InChIInChI=1S/C14H18BrClFNO2/c1-8(2)18-5-6-20-11(7-18)14(19)9-3-4-10(15)12(16)13(9)17/h3-4,8,11,14,19H,5-7H2,1-2H3
InChIKeyOCTPOMSEUHDMAT-UHFFFAOYSA-N
XLogP3.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.66
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79663304
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 107512959
(2,6-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79664477
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
1-(4-propan-2-ylmorpholin-2-yl)ethanol
CID 79663544
[(4-bromo-3-chloro-2-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 106765331
(1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 114272649
(3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79988126
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 106762078
(2,3-dichlorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665565

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol (CID 106762104) is (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol is CC(C)N1CCOC(C(O)c2ccc(Br)c(Cl)c2F)C1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The InChIKey is OCTPOMSEUHDMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO2/c1-8(2)18-5-6-20-11(7-18)14(19)9-3-4-10(15)12(16)13(9)17/h3-4,8,11,14,19H,5-7H2,1-2H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol has a molecular weight of 366.66 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol is sourced from PubChem (CID 106762104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).