2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

C15H21NO4 — CID 65159380

IUPAC2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2ccc([N+](=O)[O-])cc2)C1C
InChIInChI=1S/C15H21NO4/c1-9-10(2)20-11(3)15(9)14(17)8-12-4-6-13(7-5-12)16(18)19/h4-7,9-11,14-15,17H,8H2,1-3H3
InChIKeyARDXJUIIGBFBNS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 65159380) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
PubChem CID65159380
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2ccc([N+](=O)[O-])cc2)C1C
InChIInChI=1S/C15H21NO4/c1-9-10(2)20-11(3)15(9)14(17)8-12-4-6-13(7-5-12)16(18)19/h4-7,9-11,14-15,17H,8H2,1-3H3
InChIKeyARDXJUIIGBFBNS-UHFFFAOYSA-N
XLogP2.56
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.56
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

(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
(2R)-2-hydroxy-4-methyl-1-(4-nitrophenyl)pentan-3-one
CID 130433876
5-methyl-1-(4-nitrophenyl)hexan-2-ol
CID 63017698
(1R)-2-(4-nitrophenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 73331845
1-(3-ethylthiophen-2-yl)-2-(4-nitrophenyl)ethanol
CID 79975290
1-(5-methyloxolan-2-yl)-2-(4-nitrophenyl)ethanone
CID 81330159
4-methyl-6-(4-nitrophenyl)hexan-3-ol
CID 63561837
1-nitro-2-(4-nitrophenyl)ethanamine
CID 87584339
2-methyl-3-(4-nitrophenyl)propan-1-amine
CID 83637269
magnesium;2-[(4-nitrophenyl)methyl]propanedioate;dihydrate
CID 139719111
3-hydroxy-1-(4-nitrophenyl)butan-2-one
CID 90923881
(2R)-2-methyl-3-(4-nitrophenyl)propan-1-amine
CID 97000933

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 65159380) is 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2ccc([N+](=O)[O-])cc2)C1C.
What is the InChIKey of 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The InChIKey is ARDXJUIIGBFBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9-10(2)20-11(3)15(9)14(17)8-12-4-6-13(7-5-12)16(18)19/h4-7,9-11,14-15,17H,8H2,1-3H3.
What are the key properties of 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 279.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 65159380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).