1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol

C15H15NO4 — CID 177352466

IUPAC1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])c(C(C)O)c2)cc1
InChIInChI=1S/C15H15NO4/c1-10(17)14-9-12(5-8-15(14)16(18)19)11-3-6-13(20-2)7-4-11/h3-10,17H,1-2H3
InChIKeyZQRDHJHSGDZVDG-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.32
Rot. Bonds4

About 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol

1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol (PubChem CID 177352466) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol
PubChem CID177352466
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])c(C(C)O)c2)cc1
InChIInChI=1S/C15H15NO4/c1-10(17)14-9-12(5-8-15(14)16(18)19)11-3-6-13(20-2)7-4-11/h3-10,17H,1-2H3
InChIKeyZQRDHJHSGDZVDG-UHFFFAOYSA-N
XLogP3.32
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.32
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

1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol
CID 177352423
(1R)-1-(5-methyl-2-nitrophenyl)ethanol
CID 144909779
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
CID 89194362
CID 89194362
3-bromo-1-(5-methoxy-2-nitrophenyl)propane-1,2-diol
CID 171861137
(4,5-dimethoxy-2-nitrophenyl)-(4-methoxyphenyl)methanol
CID 4598455
1-[7-(4-methoxyphenyl)-6-nitro-1,3-benzodioxol-5-yl]ethanol
CID 177352331
2-(dichloromethyl)-1-nitro-4-phenylbenzene
CID 11022348
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
ethane;5-methoxy-2-nitrophenol
CID 143133372

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol?
The IUPAC name of 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol (CID 177352466) is 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol is COc1ccc(-c2ccc([N+](=O)[O-])c(C(C)O)c2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol?
The InChIKey is ZQRDHJHSGDZVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10(17)14-9-12(5-8-15(14)16(18)19)11-3-6-13(20-2)7-4-11/h3-10,17H,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol?
1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol has a molecular weight of 273.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol is sourced from PubChem (CID 177352466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).