5-(2,4-dinitrophenyl)pentan-1-ol

C11H14N2O5 — CID 86720802

IUPAC5-(2,4-dinitrophenyl)pentan-1-ol
SMILESO=[N+]([O-])c1ccc(CCCCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O5/c14-7-3-1-2-4-9-5-6-10(12(15)16)8-11(9)13(17)18/h5-6,8,14H,1-4,7H2
InChIKeyHEFZUKIECQUUQS-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.21
Rot. Bonds7

About 5-(2,4-dinitrophenyl)pentan-1-ol

5-(2,4-dinitrophenyl)pentan-1-ol (PubChem CID 86720802) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-(2,4-dinitrophenyl)pentan-1-ol.

Molecular Properties

Compound Name5-(2,4-dinitrophenyl)pentan-1-ol
PubChem CID86720802
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-(2,4-dinitrophenyl)pentan-1-ol
SMILESO=[N+]([O-])c1ccc(CCCCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O5/c14-7-3-1-2-4-9-5-6-10(12(15)16)8-11(9)13(17)18/h5-6,8,14H,1-4,7H2
InChIKeyHEFZUKIECQUUQS-UHFFFAOYSA-N
XLogP2.21
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(2,4-dinitrophenyl)butoxy]butyl]-2,4-dinitrobenzene
CID 140975215
1-(2-fluoroethyl)-2,4-dinitrobenzene
CID 14809005
4-(2,4-dinitrophenyl)butan-2-one
CID 66223072
4-(2,4-dinitrophenyl)butan-2-ol
CID 66223081
3-(2,4-dinitrophenyl)propyl prop-2-enoate
CID 88710121
2-(2,4-dinitrophenyl)acetonitrile
CID 5129344
bis(2-hydroxyethyl)azanium;2-(2,4-dinitrophenyl)ethanethioate
CID 23623566
1-(methylsulfanylmethyl)-2,4-dinitrobenzene
CID 20768719
azane;2-(2-hydroxyethyl)-5-nitrophenol
CID 19911095
(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
CID 5355471
1-(2,4-dinitrophenyl)-4,4-dimethylpentan-3-ol
CID 66223299
2-(2,4-dinitrophenyl)ethanol;1-(4-hydroxyphenyl)pyrrole-2,5-dione
CID 159395188

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dinitrophenyl)pentan-1-ol?
The IUPAC name of 5-(2,4-dinitrophenyl)pentan-1-ol (CID 86720802) is 5-(2,4-dinitrophenyl)pentan-1-ol.
What is the SMILES notation for 5-(2,4-dinitrophenyl)pentan-1-ol?
The canonical SMILES for 5-(2,4-dinitrophenyl)pentan-1-ol is O=[N+]([O-])c1ccc(CCCCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(2,4-dinitrophenyl)pentan-1-ol?
The InChIKey is HEFZUKIECQUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-7-3-1-2-4-9-5-6-10(12(15)16)8-11(9)13(17)18/h5-6,8,14H,1-4,7H2.
What are the key properties of 5-(2,4-dinitrophenyl)pentan-1-ol?
5-(2,4-dinitrophenyl)pentan-1-ol has a molecular weight of 254.24 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dinitrophenyl)pentan-1-ol is sourced from PubChem (CID 86720802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).