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

C14H13NO4 — CID 2775042

IUPAC[4-[(4-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(COc2ccc(CO)cc2)cc1
InChIInChI=1S/C14H13NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8,16H,9-10H2
InChIKeyKOWPGVRQGGSKNI-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.67
Rot. Bonds5

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

[4-[(4-nitrophenyl)methoxy]phenyl]methanol (PubChem CID 2775042) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [4-[(4-nitrophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-nitrophenyl)methoxy]phenyl]methanol
PubChem CID2775042
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[4-[(4-nitrophenyl)methoxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(COc2ccc(CO)cc2)cc1
InChIInChI=1S/C14H13NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8,16H,9-10H2
InChIKeyKOWPGVRQGGSKNI-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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Frequently Asked Questions

What is the IUPAC name of [4-[(4-nitrophenyl)methoxy]phenyl]methanol?
The IUPAC name of [4-[(4-nitrophenyl)methoxy]phenyl]methanol (CID 2775042) is [4-[(4-nitrophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [4-[(4-nitrophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [4-[(4-nitrophenyl)methoxy]phenyl]methanol is O=[N+]([O-])c1ccc(COc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[(4-nitrophenyl)methoxy]phenyl]methanol?
The InChIKey is KOWPGVRQGGSKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8,16H,9-10H2.
What are the key properties of [4-[(4-nitrophenyl)methoxy]phenyl]methanol?
[4-[(4-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-[(4-nitrophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 2775042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).