2-(5-chloro-2-nitrophenyl)propan-1-ol

C9H10ClNO3 — CID 10059144

IUPAC2-(5-chloro-2-nitrophenyl)propan-1-ol
SMILESCC(CO)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClNO3/c1-6(5-12)8-4-7(10)2-3-9(8)11(13)14/h2-4,6,12H,5H2,1H3
InChIKeyIELFZUVITSDTCT-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.34
Rot. Bonds3

About 2-(5-chloro-2-nitrophenyl)propan-1-ol

2-(5-chloro-2-nitrophenyl)propan-1-ol (PubChem CID 10059144) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(5-chloro-2-nitrophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2-nitrophenyl)propan-1-ol
PubChem CID10059144
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-(5-chloro-2-nitrophenyl)propan-1-ol
SMILESCC(CO)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClNO3/c1-6(5-12)8-4-7(10)2-3-9(8)11(13)14/h2-4,6,12H,5H2,1H3
InChIKeyIELFZUVITSDTCT-UHFFFAOYSA-N
XLogP2.34
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.34
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-(2,5-dinitrophenyl)propan-1-ol
CID 22708683
3-(5-chloro-2-nitrophenyl)butan-2-ol
CID 115472092
(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)propan-2-ol;hydrochloride
CID 171268542
2-(5-chloro-2-nitrophenyl)-4-methylpentanoic acid
CID 113428036
(4S)-4-amino-4-(5-chloro-2-nitrophenyl)butan-1-ol
CID 171225999
(1S,2R)-1-amino-1-(5-chloro-2-nitrophenyl)butan-2-ol
CID 171268543
2-(5-chloro-2-nitrophenyl)-3-methylbutanenitrile
CID 13265163
(1R)-1-(5-chloro-2-nitrophenyl)-3-methylbut-3-en-1-amine
CID 171206413
2-(5-chloro-2-nitrophenyl)-N-methylpentan-3-amine
CID 115472081
1-[3-(1-hydroxypropan-2-yl)-4-nitrophenyl]hexan-1-one
CID 67094885
(1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine
CID 171206387
methyl (2R)-2-amino-2-(5-chloro-2-nitrophenyl)acetate
CID 171225993

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-nitrophenyl)propan-1-ol?
The IUPAC name of 2-(5-chloro-2-nitrophenyl)propan-1-ol (CID 10059144) is 2-(5-chloro-2-nitrophenyl)propan-1-ol.
What is the SMILES notation for 2-(5-chloro-2-nitrophenyl)propan-1-ol?
The canonical SMILES for 2-(5-chloro-2-nitrophenyl)propan-1-ol is CC(CO)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-chloro-2-nitrophenyl)propan-1-ol?
The InChIKey is IELFZUVITSDTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-6(5-12)8-4-7(10)2-3-9(8)11(13)14/h2-4,6,12H,5H2,1H3.
What are the key properties of 2-(5-chloro-2-nitrophenyl)propan-1-ol?
2-(5-chloro-2-nitrophenyl)propan-1-ol has a molecular weight of 215.64 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-nitrophenyl)propan-1-ol is sourced from PubChem (CID 10059144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).