(1R)-1-(2-nitrophenyl)pentan-1-ol

C11H15NO3 — CID 129395875

IUPAC(1R)-1-(2-nitrophenyl)pentan-1-ol
SMILESCCCC[C@@H](O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15NO3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-7,11,13H,2-3,8H2,1H3/t11-/m1/s1
InChIKeyDCOXRBXDCOBXAP-LLVKDONJSA-N
MW209.25 g/mol
LogP2.82
Rot. Bonds5

About (1R)-1-(2-nitrophenyl)pentan-1-ol

(1R)-1-(2-nitrophenyl)pentan-1-ol (PubChem CID 129395875) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (1R)-1-(2-nitrophenyl)pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-nitrophenyl)pentan-1-ol
PubChem CID129395875
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(1R)-1-(2-nitrophenyl)pentan-1-ol
SMILESCCCC[C@@H](O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15NO3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-7,11,13H,2-3,8H2,1H3/t11-/m1/s1
InChIKeyDCOXRBXDCOBXAP-LLVKDONJSA-N
XLogP2.82
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.82
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

1-(2,3-dinitrophenyl)pentan-1-ol
CID 89488516
ethyl 6-hydroxy-6-(2-nitrophenyl)hexanoate
CID 102091501
1-icosan-8-yl-2-nitrobenzene
CID 175494481
1-(2-nitrophenyl)-2-(propan-2-ylamino)ethanol
CID 54182099
3-butoxy-3-(2-nitrophenyl)propan-1-ol
CID 67900495
(1S)-3-methoxy-1-(2-nitrophenyl)but-3-en-1-ol
CID 101169097
3-(methylamino)-1-(2-nitrophenyl)butan-1-ol
CID 145020704
bis[1-(2-nitrophenyl)ethyl] 2-pentylpropanedioate
CID 87546661
ethyl 2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 74433580
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2-(1-hydroxypentyl)benzoate
CID 23069675
2-(2-nitrophenyl)propyl N-heptoxycarbamate
CID 59030225

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-nitrophenyl)pentan-1-ol?
The IUPAC name of (1R)-1-(2-nitrophenyl)pentan-1-ol (CID 129395875) is (1R)-1-(2-nitrophenyl)pentan-1-ol.
What is the SMILES notation for (1R)-1-(2-nitrophenyl)pentan-1-ol?
The canonical SMILES for (1R)-1-(2-nitrophenyl)pentan-1-ol is CCCC[C@@H](O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-(2-nitrophenyl)pentan-1-ol?
The InChIKey is DCOXRBXDCOBXAP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-7,11,13H,2-3,8H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-nitrophenyl)pentan-1-ol?
(1R)-1-(2-nitrophenyl)pentan-1-ol has a molecular weight of 209.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-nitrophenyl)pentan-1-ol is sourced from PubChem (CID 129395875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).