(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol

C9H10ClNO4 — CID 106933009

IUPAC(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
SMILESC[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClNO4/c1-6(12)5-15-9-3-2-7(10)4-8(9)11(13)14/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKeyMCKVEPIIGQKMRX-ZCFIWIBFSA-N
MW231.63 g/mol
LogP2.01
Rot. Bonds4

About (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol

(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol (PubChem CID 106933009) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
PubChem CID106933009
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
SMILESC[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClNO4/c1-6(12)5-15-9-3-2-7(10)4-8(9)11(13)14/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKeyMCKVEPIIGQKMRX-ZCFIWIBFSA-N
XLogP2.01
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 52.01
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

1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245
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CID 110885131
3-(4-chloro-2-nitrophenoxy)propan-1-ol
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methyl 2-(4-chloro-2-nitrophenoxy)propanoate
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4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
3-(4-chloro-2-nitrophenoxy)-3-oxopropanoic acid
CID 54286951
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
1-(2,5-dimethyl-4-nitrophenoxy)propan-2-ol
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1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109415104
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
CID 71758415

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol (CID 106933009) is (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol is C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol?
The InChIKey is MCKVEPIIGQKMRX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-6(12)5-15-9-3-2-7(10)4-8(9)11(13)14/h2-4,6,12H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol?
(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol has a molecular weight of 231.63 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 106933009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).