[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol

C14H12BrNO4 — CID 43137760

IUPAC[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1OCc1ccccc1Br
InChIInChI=1S/C14H12BrNO4/c15-12-4-2-1-3-11(12)9-20-14-6-5-10(8-17)7-13(14)16(18)19/h1-7,17H,8-9H2
InChIKeyDPRLNFNVRKZMEO-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.43
Rot. Bonds5

About [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol

[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol (PubChem CID 43137760) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
PubChem CID43137760
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1OCc1ccccc1Br
InChIInChI=1S/C14H12BrNO4/c15-12-4-2-1-3-11(12)9-20-14-6-5-10(8-17)7-13(14)16(18)19/h1-7,17H,8-9H2
InChIKeyDPRLNFNVRKZMEO-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

4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-nitrobenzene
CID 43141649
2-[[4-(hydroxymethyl)-2-nitrophenoxy]methyl]benzonitrile
CID 43319804
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[3-nitro-4-(2-phenylethoxy)phenyl]methanol
CID 29003909
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 115982092
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol (CID 43137760) is [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol is O=[N+]([O-])c1cc(CO)ccc1OCc1ccccc1Br.
What is the InChIKey of [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol?
The InChIKey is DPRLNFNVRKZMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c15-12-4-2-1-3-11(12)9-20-14-6-5-10(8-17)7-13(14)16(18)19/h1-7,17H,8-9H2.
What are the key properties of [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol?
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]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 [4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 43137760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).