[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol

C14H11BrFNO4 — CID 43472893

IUPAC[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2cc(Br)ccc2F)c(CO)c1
InChIInChI=1S/C14H11BrFNO4/c15-11-1-3-13(16)10(5-11)8-21-14-4-2-12(17(19)20)6-9(14)7-18/h1-6,18H,7-8H2
InChIKeyPSRSSGWNWQAMTC-UHFFFAOYSA-N
MW356.15 g/mol
LogP3.57
Rot. Bonds5

About [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol

[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol (PubChem CID 43472893) has the molecular formula C14H11BrFNO4 and a molecular weight of 356.15 g/mol. Its IUPAC name is [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
PubChem CID43472893
Molecular FormulaC14H11BrFNO4
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2cc(Br)ccc2F)c(CO)c1
InChIInChI=1S/C14H11BrFNO4/c15-11-1-3-13(16)10(5-11)8-21-14-4-2-12(17(19)20)6-9(14)7-18/h1-6,18H,7-8H2
InChIKeyPSRSSGWNWQAMTC-UHFFFAOYSA-N
XLogP3.57
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 114672725
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
CID 103600418
2-[(5-bromo-2-fluorophenyl)methoxy]-4-fluoro-1-nitrobenzene
CID 52617947
[2-(4-bromo-2-methylphenoxy)-5-nitrophenyl]methanol
CID 63216881
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol
CID 43472939

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol?
The IUPAC name of [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol (CID 43472893) is [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol is O=[N+]([O-])c1ccc(OCc2cc(Br)ccc2F)c(CO)c1.
What is the InChIKey of [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol?
The InChIKey is PSRSSGWNWQAMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO4/c15-11-1-3-13(16)10(5-11)8-21-14-4-2-12(17(19)20)6-9(14)7-18/h1-6,18H,7-8H2.
What are the key properties of [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol?
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol has a molecular weight of 356.15 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol is sourced from PubChem (CID 43472893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).