[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol

C14H12BrNO4 — CID 61391476

IUPAC[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccccc1COc1c(Br)cccc1CO
InChIInChI=1S/C14H12BrNO4/c15-12-6-3-5-10(8-17)14(12)20-9-11-4-1-2-7-13(11)16(18)19/h1-7,17H,8-9H2
InChIKeyDHQPPFJQJMIOCV-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.43
Rot. Bonds5

About [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol

[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol (PubChem CID 61391476) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
PubChem CID61391476
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccccc1COc1c(Br)cccc1CO
InChIInChI=1S/C14H12BrNO4/c15-12-6-3-5-10(8-17)14(12)20-9-11-4-1-2-7-13(11)16(18)19/h1-7,17H,8-9H2
InChIKeyDHQPPFJQJMIOCV-UHFFFAOYSA-N
XLogP3.43
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.43
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'}

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Related Compounds

1-bromo-3-(bromomethyl)-2-[(2-nitrophenyl)methoxy]benzene
CID 63535205
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
1-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349915
(2-nitrophenyl)methanol
CID 11923
[3-bromo-2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 61391744
[2-[(2-bromo-4-nitrophenyl)methoxy]-3-fluorophenyl]methanol
CID 115956391
methanol;(2-nitrophenyl)methanol
CID 70046885
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760
5-(2-bromo-6-nitrophenoxy)pentan-1-ol
CID 81499592
(2-bromophenyl)methyl 2-(2-nitrophenyl)acetate
CID 55316012

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol (CID 61391476) is [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol is O=[N+]([O-])c1ccccc1COc1c(Br)cccc1CO.
What is the InChIKey of [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol?
The InChIKey is DHQPPFJQJMIOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c15-12-6-3-5-10(8-17)14(12)20-9-11-4-1-2-7-13(11)16(18)19/h1-7,17H,8-9H2.
What are the key properties of [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol?
[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol has a molecular weight of 338.16 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 61391476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).