(1R)-1,2-bis(4-nitrophenyl)ethanol

C14H12N2O5 — CID 7046140

IUPAC(1R)-1,2-bis(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O5/c17-14(11-3-7-13(8-4-11)16(20)21)9-10-1-5-12(6-2-10)15(18)19/h1-8,14,17H,9H2/t14-/m1/s1
InChIKeyCCVTWTQXQQSPCD-CQSZACIVSA-N
MW288.26 g/mol
LogP2.78
Rot. Bonds5

About (1R)-1,2-bis(4-nitrophenyl)ethanol

(1R)-1,2-bis(4-nitrophenyl)ethanol (PubChem CID 7046140) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is (1R)-1,2-bis(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1,2-bis(4-nitrophenyl)ethanol
PubChem CID7046140
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name(1R)-1,2-bis(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O5/c17-14(11-3-7-13(8-4-11)16(20)21)9-10-1-5-12(6-2-10)15(18)19/h1-8,14,17H,9H2/t14-/m1/s1
InChIKeyCCVTWTQXQQSPCD-CQSZACIVSA-N
XLogP2.78
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-bromo-4-fluorophenyl)-2-(4-nitrophenyl)ethanol
CID 107957861
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607
3-hydroxy-3-(4-nitrophenyl)propanenitrile
CID 11735665
(3R)-3-hydroxy-3-(4-nitrophenyl)propanal
CID 154717001
bis(4-nitrophenyl)methanol
CID 12768612
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661
2-(3,5-dinitrophenyl)-1-phenylethanol
CID 88671107
2-ethylsulfonyl-1-(4-nitrophenyl)ethanol
CID 102548736
1-(4-nitrophenyl)ethanol;1-(4-nitrophenyl)propan-1-ol
CID 87950417
1-nitro-2-(4-nitrophenyl)ethanamine
CID 87584339
(1S)-1-[4-[(4-nitrophenyl)methoxy]phenyl]propan-1-ol
CID 78933303
magnesium;2-[(4-nitrophenyl)methyl]propanedioate;dihydrate
CID 139719111

Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-bis(4-nitrophenyl)ethanol?
The IUPAC name of (1R)-1,2-bis(4-nitrophenyl)ethanol (CID 7046140) is (1R)-1,2-bis(4-nitrophenyl)ethanol.
What is the SMILES notation for (1R)-1,2-bis(4-nitrophenyl)ethanol?
The canonical SMILES for (1R)-1,2-bis(4-nitrophenyl)ethanol is O=[N+]([O-])c1ccc(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (1R)-1,2-bis(4-nitrophenyl)ethanol?
The InChIKey is CCVTWTQXQQSPCD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12N2O5/c17-14(11-3-7-13(8-4-11)16(20)21)9-10-1-5-12(6-2-10)15(18)19/h1-8,14,17H,9H2/t14-/m1/s1.
What are the key properties of (1R)-1,2-bis(4-nitrophenyl)ethanol?
(1R)-1,2-bis(4-nitrophenyl)ethanol has a molecular weight of 288.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2-bis(4-nitrophenyl)ethanol is sourced from PubChem (CID 7046140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).