3-methoxy-4-(3-nitrophenyl)phenol

C13H11NO4 — CID 24767500

IUPAC3-methoxy-4-(3-nitrophenyl)phenol
SMILESCOc1cc(O)ccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11NO4/c1-18-13-8-11(15)5-6-12(13)9-3-2-4-10(7-9)14(16)17/h2-8,15H,1H3
InChIKeyHBBHSGMJKFWRAC-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.98
Rot. Bonds3

About 3-methoxy-4-(3-nitrophenyl)phenol

3-methoxy-4-(3-nitrophenyl)phenol (PubChem CID 24767500) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-methoxy-4-(3-nitrophenyl)phenol.

Molecular Properties

Compound Name3-methoxy-4-(3-nitrophenyl)phenol
PubChem CID24767500
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name3-methoxy-4-(3-nitrophenyl)phenol
SMILESCOc1cc(O)ccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11NO4/c1-18-13-8-11(15)5-6-12(13)9-3-2-4-10(7-9)14(16)17/h2-8,15H,1H3
InChIKeyHBBHSGMJKFWRAC-UHFFFAOYSA-N
XLogP2.98
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.98
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

2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
4-methoxy-3-(3-nitrophenyl)benzoyl chloride
CID 118072392
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
CID 68788738
4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102
1,3-dinitrobenzene;3-methoxyphenol
CID 174564755
4-methoxy-7-(3-nitrophenyl)-1,3-benzothiazole
CID 141045285
methyl 2-(3-nitrophenyl)benzoate
CID 11708670
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-nitrophenyl)phenol?
The IUPAC name of 3-methoxy-4-(3-nitrophenyl)phenol (CID 24767500) is 3-methoxy-4-(3-nitrophenyl)phenol.
What is the SMILES notation for 3-methoxy-4-(3-nitrophenyl)phenol?
The canonical SMILES for 3-methoxy-4-(3-nitrophenyl)phenol is COc1cc(O)ccc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-methoxy-4-(3-nitrophenyl)phenol?
The InChIKey is HBBHSGMJKFWRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-18-13-8-11(15)5-6-12(13)9-3-2-4-10(7-9)14(16)17/h2-8,15H,1H3.
What are the key properties of 3-methoxy-4-(3-nitrophenyl)phenol?
3-methoxy-4-(3-nitrophenyl)phenol has a molecular weight of 245.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-nitrophenyl)phenol is sourced from PubChem (CID 24767500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).