3-(2-chloro-4-nitrophenyl)pentan-2-ol

C11H14ClNO3 — CID 55162265

IUPAC3-(2-chloro-4-nitrophenyl)pentan-2-ol
SMILESCCC(c1ccc([N+](=O)[O-])cc1Cl)C(C)O
InChIInChI=1S/C11H14ClNO3/c1-3-9(7(2)14)10-5-4-8(13(15)16)6-11(10)12/h4-7,9,14H,3H2,1-2H3
InChIKeyMONHCGINSVCXIW-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.12
Rot. Bonds4

About 3-(2-chloro-4-nitrophenyl)pentan-2-ol

3-(2-chloro-4-nitrophenyl)pentan-2-ol (PubChem CID 55162265) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 3-(2-chloro-4-nitrophenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(2-chloro-4-nitrophenyl)pentan-2-ol
PubChem CID55162265
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name3-(2-chloro-4-nitrophenyl)pentan-2-ol
SMILESCCC(c1ccc([N+](=O)[O-])cc1Cl)C(C)O
InChIInChI=1S/C11H14ClNO3/c1-3-9(7(2)14)10-5-4-8(13(15)16)6-11(10)12/h4-7,9,14H,3H2,1-2H3
InChIKeyMONHCGINSVCXIW-UHFFFAOYSA-N
XLogP3.12
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.12
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

2-chloro-1-(2-chloropentan-3-yl)-4-nitrobenzene
CID 63202945
3-(2-fluoro-4-nitrophenyl)pentan-2-ol
CID 63201531
2-(2-hydroxypentan-3-yl)-5-nitrobenzonitrile
CID 115501745
2-chloro-1-(dimethoxymethyl)-4-nitrobenzene
CID 163821050
ethyl 2-(2-chloro-4-nitrophenyl)-2-cyanoacetate
CID 113428002
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-one
CID 63199228
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004
4-(2-chloro-4-nitrophenyl)but-3-yn-2-ol
CID 23006417
2-bromo-N-(2-chloro-4-nitrophenyl)butanamide
CID 62856327
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
2-chloro-N-(3-ethylpentan-2-yl)-4-nitroaniline
CID 63837104
butan-2-yl 2-chloro-5-nitrobenzoate
CID 63841314

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-nitrophenyl)pentan-2-ol?
The IUPAC name of 3-(2-chloro-4-nitrophenyl)pentan-2-ol (CID 55162265) is 3-(2-chloro-4-nitrophenyl)pentan-2-ol.
What is the SMILES notation for 3-(2-chloro-4-nitrophenyl)pentan-2-ol?
The canonical SMILES for 3-(2-chloro-4-nitrophenyl)pentan-2-ol is CCC(c1ccc([N+](=O)[O-])cc1Cl)C(C)O.
What is the InChIKey of 3-(2-chloro-4-nitrophenyl)pentan-2-ol?
The InChIKey is MONHCGINSVCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-3-9(7(2)14)10-5-4-8(13(15)16)6-11(10)12/h4-7,9,14H,3H2,1-2H3.
What are the key properties of 3-(2-chloro-4-nitrophenyl)pentan-2-ol?
3-(2-chloro-4-nitrophenyl)pentan-2-ol has a molecular weight of 243.69 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-nitrophenyl)pentan-2-ol is sourced from PubChem (CID 55162265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).