4-chloro-2,3,5-trimethyl-6-nitrophenol

C9H10ClNO3 — CID 42625527

IUPAC4-chloro-2,3,5-trimethyl-6-nitrophenol
SMILESCc1c(C)c(Cl)c(C)c([N+](=O)[O-])c1O
InChIInChI=1S/C9H10ClNO3/c1-4-5(2)9(12)8(11(13)14)6(3)7(4)10/h12H,1-3H3
InChIKeyBVDAMPDLVOOVBL-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.88
Rot. Bonds1

About 4-chloro-2,3,5-trimethyl-6-nitrophenol

4-chloro-2,3,5-trimethyl-6-nitrophenol (PubChem CID 42625527) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 4-chloro-2,3,5-trimethyl-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2,3,5-trimethyl-6-nitrophenol
PubChem CID42625527
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name4-chloro-2,3,5-trimethyl-6-nitrophenol
SMILESCc1c(C)c(Cl)c(C)c([N+](=O)[O-])c1O
InChIInChI=1S/C9H10ClNO3/c1-4-5(2)9(12)8(11(13)14)6(3)7(4)10/h12H,1-3H3
InChIKeyBVDAMPDLVOOVBL-UHFFFAOYSA-N
XLogP2.88
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3,5-trimethyl-6-nitrophenol?
The IUPAC name of 4-chloro-2,3,5-trimethyl-6-nitrophenol (CID 42625527) is 4-chloro-2,3,5-trimethyl-6-nitrophenol.
What is the SMILES notation for 4-chloro-2,3,5-trimethyl-6-nitrophenol?
The canonical SMILES for 4-chloro-2,3,5-trimethyl-6-nitrophenol is Cc1c(C)c(Cl)c(C)c([N+](=O)[O-])c1O.
What is the InChIKey of 4-chloro-2,3,5-trimethyl-6-nitrophenol?
The InChIKey is BVDAMPDLVOOVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-4-5(2)9(12)8(11(13)14)6(3)7(4)10/h12H,1-3H3.
What are the key properties of 4-chloro-2,3,5-trimethyl-6-nitrophenol?
4-chloro-2,3,5-trimethyl-6-nitrophenol has a molecular weight of 215.64 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3,5-trimethyl-6-nitrophenol is sourced from PubChem (CID 42625527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).