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

C14H13NO4 — CID 28561946

IUPAC[3-[(3-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(COc2cccc(CO)c2)c1
InChIInChI=1S/C14H13NO4/c16-9-11-3-2-6-14(8-11)19-10-12-4-1-5-13(7-12)15(17)18/h1-8,16H,9-10H2
InChIKeySXLMYVROBOQJMI-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.67
Rot. Bonds5

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

[3-[(3-nitrophenyl)methoxy]phenyl]methanol (PubChem CID 28561946) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [3-[(3-nitrophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-nitrophenyl)methoxy]phenyl]methanol
PubChem CID28561946
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[3-[(3-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(COc2cccc(CO)c2)c1
InChIInChI=1S/C14H13NO4/c16-9-11-3-2-6-14(8-11)19-10-12-4-1-5-13(7-12)15(17)18/h1-8,16H,9-10H2
InChIKeySXLMYVROBOQJMI-UHFFFAOYSA-N
XLogP2.67
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.67
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

p-Nitrophenyl o-tolyl ether
CID 17123
Benzene, 1,4-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-
CID 84250
1,4-Dimethoxy-2-((1E)-2-(4-nitrophenyl)ethenyl)benzene
CID 5802007
2-(3-Nitro-phenyl)-2,3-dihydro-benzo(1,4)dioxin-2-OL
CID 3373418
p-(Benzyloxy)nitrobenzene
CID 70842
4-Nitrobenzyl phenyl ether
CID 99674
5-Methyl-2-(4-nitro-phenoxy)-anisole
CID 236785
{4-[(3-Nitrobenzyl)oxy]phenyl}methanol
CID 894319
1-[(1E)-2-(4-nitrophenyl)vinyl]-4-ethoxybenzene
CID 6050842
4-(Benzyloxy)-2-methyl-1-nitrobenzene
CID 257720
(E)-3-Methoxy-4'-nitrostilbene
CID 6440430
Benzene, 1-methyl-3-(4-nitrophenyl)-
CID 16816

Frequently Asked Questions

What is the IUPAC name of [3-[(3-nitrophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-[(3-nitrophenyl)methoxy]phenyl]methanol (CID 28561946) is [3-[(3-nitrophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-[(3-nitrophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-[(3-nitrophenyl)methoxy]phenyl]methanol is O=[N+]([O-])c1cccc(COc2cccc(CO)c2)c1.
What is the InChIKey of [3-[(3-nitrophenyl)methoxy]phenyl]methanol?
The InChIKey is SXLMYVROBOQJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-9-11-3-2-6-14(8-11)19-10-12-4-1-5-13(7-12)15(17)18/h1-8,16H,9-10H2.
What are the key properties of [3-[(3-nitrophenyl)methoxy]phenyl]methanol?
[3-[(3-nitrophenyl)methoxy]phenyl]methanol has a molecular weight of 259.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-nitrophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 28561946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).