[4-[(3-nitrophenyl)methoxy]phenyl]methanol

C14H13NO4 — CID 894319

IUPAC[4-[(3-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(COc2ccc(CO)cc2)c1
InChIInChI=1S/C14H13NO4/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-8,16H,9-10H2
InChIKeyJPHUFXMCEOWYPZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.67
Rot. Bonds5

About [4-[(3-nitrophenyl)methoxy]phenyl]methanol

[4-[(3-nitrophenyl)methoxy]phenyl]methanol (PubChem CID 894319) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [4-[(3-nitrophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-nitrophenyl)methoxy]phenyl]methanol
PubChem CID894319
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[4-[(3-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(COc2ccc(CO)cc2)c1
InChIInChI=1S/C14H13NO4/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-8,16H,9-10H2
InChIKeyJPHUFXMCEOWYPZ-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'}

Analyze [4-[(3-nitrophenyl)methoxy]phenyl]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

p-Nitrophenyl o-tolyl ether
CID 17123
trans-4'-Methoxy-4-nitrostilbene
CID 745105
p-(Benzyloxy)nitrobenzene
CID 70842
4-Nitrobenzyl phenyl ether
CID 99674
(3-nitrophenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2083760
3-Ethoxy-3-[4-[(3-nitrophenyl)methoxy]phenyl]propanoic acid
CID 58172969
1-[(1E)-2-(4-nitrophenyl)vinyl]-4-ethoxybenzene
CID 6050842
1-Nitro-4-[(4-nitrobenzyl)oxy]benzene
CID 586107
beta-D-Xylopyranoside, 4-((3-nitrophenyl)methyl)phenyl
CID 3062904
Benzyl 3-nitrophenyl ether
CID 141099
(E)-1-nitro-3-(4-(methoxy)styryl)benzene
CID 68372424
1-Methyl-4-(4-nitrophenoxy)benzene
CID 76943

Frequently Asked Questions

What is the IUPAC name of [4-[(3-nitrophenyl)methoxy]phenyl]methanol?
The IUPAC name of [4-[(3-nitrophenyl)methoxy]phenyl]methanol (CID 894319) is [4-[(3-nitrophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [4-[(3-nitrophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [4-[(3-nitrophenyl)methoxy]phenyl]methanol is O=[N+]([O-])c1cccc(COc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[(3-nitrophenyl)methoxy]phenyl]methanol?
The InChIKey is JPHUFXMCEOWYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-8,16H,9-10H2.
What are the key properties of [4-[(3-nitrophenyl)methoxy]phenyl]methanol?
[4-[(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 [4-[(3-nitrophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 894319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).