(3-methoxy-4-nitrophenyl)methanol

C8H9NO4 — CID 602961

IUPAC(3-methoxy-4-nitrophenyl)methanol
SMILESCOc1cc(CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3
InChIKeyAADYWCBPJZAJNU-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.10
Rot. Bonds3

About (3-methoxy-4-nitrophenyl)methanol

(3-methoxy-4-nitrophenyl)methanol (PubChem CID 602961) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is (3-methoxy-4-nitrophenyl)methanol.

Molecular Properties

Compound Name(3-methoxy-4-nitrophenyl)methanol
PubChem CID602961
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name(3-methoxy-4-nitrophenyl)methanol
SMILESCOc1cc(CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3
InChIKeyAADYWCBPJZAJNU-UHFFFAOYSA-N
XLogP1.10
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.10
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 (3-methoxy-4-nitrophenyl)methanol?
The IUPAC name of (3-methoxy-4-nitrophenyl)methanol (CID 602961) is (3-methoxy-4-nitrophenyl)methanol.
What is the SMILES notation for (3-methoxy-4-nitrophenyl)methanol?
The canonical SMILES for (3-methoxy-4-nitrophenyl)methanol is COc1cc(CO)ccc1[N+](=O)[O-].
What is the InChIKey of (3-methoxy-4-nitrophenyl)methanol?
The InChIKey is AADYWCBPJZAJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3.
What are the key properties of (3-methoxy-4-nitrophenyl)methanol?
(3-methoxy-4-nitrophenyl)methanol has a molecular weight of 183.16 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-nitrophenyl)methanol is sourced from PubChem (CID 602961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).