2-(3,5-dinitrophenyl)-1-phenylethanol

C14H12N2O5 — CID 88671107

IUPAC2-(3,5-dinitrophenyl)-1-phenylethanol
SMILESO=[N+]([O-])c1cc(CC(O)c2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c17-14(11-4-2-1-3-5-11)8-10-6-12(15(18)19)9-13(7-10)16(20)21/h1-7,9,14,17H,8H2
InChIKeyIAMQYEBWKRZGSI-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.78
Rot. Bonds5

About 2-(3,5-dinitrophenyl)-1-phenylethanol

2-(3,5-dinitrophenyl)-1-phenylethanol (PubChem CID 88671107) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-(3,5-dinitrophenyl)-1-phenylethanol.

Molecular Properties

Compound Name2-(3,5-dinitrophenyl)-1-phenylethanol
PubChem CID88671107
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-(3,5-dinitrophenyl)-1-phenylethanol
SMILESO=[N+]([O-])c1cc(CC(O)c2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c17-14(11-4-2-1-3-5-11)8-10-6-12(15(18)19)9-13(7-10)16(20)21/h1-7,9,14,17H,8H2
InChIKeyIAMQYEBWKRZGSI-UHFFFAOYSA-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

(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
(1R)-1,2-diphenylethanol
CID 1379022
2,6-bis[[(2R)-2-hydroxy-2-phenylethoxy]methyl]-4-nitrophenol
CID 12030579
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661
2-(3-methyl-5-nitroanilino)-1-phenylethanol
CID 115981217
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
3-(4-nitrophenyl)-1-phenylbutane-1,3-diol
CID 70228127
(1S)-2-(2,4-dinitroanilino)-1-phenylethanol
CID 9311814
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806
benzene;nitro(phenyl)methanol
CID 174698323
2-(2-amino-4-nitroanilino)-1-phenylethanol
CID 62508279

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dinitrophenyl)-1-phenylethanol?
The IUPAC name of 2-(3,5-dinitrophenyl)-1-phenylethanol (CID 88671107) is 2-(3,5-dinitrophenyl)-1-phenylethanol.
What is the SMILES notation for 2-(3,5-dinitrophenyl)-1-phenylethanol?
The canonical SMILES for 2-(3,5-dinitrophenyl)-1-phenylethanol is O=[N+]([O-])c1cc(CC(O)c2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3,5-dinitrophenyl)-1-phenylethanol?
The InChIKey is IAMQYEBWKRZGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c17-14(11-4-2-1-3-5-11)8-10-6-12(15(18)19)9-13(7-10)16(20)21/h1-7,9,14,17H,8H2.
What are the key properties of 2-(3,5-dinitrophenyl)-1-phenylethanol?
2-(3,5-dinitrophenyl)-1-phenylethanol 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 2-(3,5-dinitrophenyl)-1-phenylethanol is sourced from PubChem (CID 88671107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).