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

C15H15NO3 — CID 177352423

IUPAC1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol
SMILESCc1ccc(-c2ccc([N+](=O)[O-])c(C(C)O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-5-12(6-4-10)13-7-8-15(16(18)19)14(9-13)11(2)17/h3-9,11,17H,1-2H3
InChIKeyPRIXOFDSAOGOJZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.62
Rot. Bonds3

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

1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol (PubChem CID 177352423) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol
PubChem CID177352423
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol
SMILESCc1ccc(-c2ccc([N+](=O)[O-])c(C(C)O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-5-12(6-4-10)13-7-8-15(16(18)19)14(9-13)11(2)17/h3-9,11,17H,1-2H3
InChIKeyPRIXOFDSAOGOJZ-UHFFFAOYSA-N
XLogP3.62
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1R)-1-(5-methyl-2-nitrophenyl)ethanol
CID 144909779
1-[5-(4-methoxyphenyl)-2-nitrophenyl]ethanol
CID 177352466
(1S)-1-(4-methyl-2-nitrophenyl)ethanol
CID 155352153
CID 89194362
CID 89194362
2-(dichloromethyl)-1-nitro-4-phenylbenzene
CID 11022348
4-(1-hydroxyethyl)-5-nitrobenzene-1,2-diol
CID 121371654
(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
1-[[3-(1-hydroxyethyl)-4-nitrophenyl]methyl]pyrrole-2,5-dione
CID 69254012
4-(1-hydroxyethyl)-3-nitrophenol
CID 143117945
2-(4-methylphenyl)-1,3,5-trinitrobenzene
CID 22342000

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol?
The IUPAC name of 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol (CID 177352423) is 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol.
What is the SMILES notation for 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol?
The canonical SMILES for 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol is Cc1ccc(-c2ccc([N+](=O)[O-])c(C(C)O)c2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol?
The InChIKey is PRIXOFDSAOGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-3-5-12(6-4-10)13-7-8-15(16(18)19)14(9-13)11(2)17/h3-9,11,17H,1-2H3.
What are the key properties of 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol?
1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol has a molecular weight of 257.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol is sourced from PubChem (CID 177352423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).