(3-chloro-5-nitrophenyl)methanol

C7H6ClNO3 — CID 52987794

IUPAC(3-chloro-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(Cl)cc(CO)c1
InChIInChI=1S/C7H6ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChIKeyLKBQUSJJIYIBDP-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.74
Rot. Bonds2

About (3-chloro-5-nitrophenyl)methanol

(3-chloro-5-nitrophenyl)methanol (PubChem CID 52987794) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is (3-chloro-5-nitrophenyl)methanol.

Molecular Properties

Compound Name(3-chloro-5-nitrophenyl)methanol
PubChem CID52987794
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name(3-chloro-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(Cl)cc(CO)c1
InChIInChI=1S/C7H6ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChIKeyLKBQUSJJIYIBDP-UHFFFAOYSA-N
XLogP1.74
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.58
LogP ≤ 51.74
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 (3-chloro-5-nitrophenyl)methanol?
The IUPAC name of (3-chloro-5-nitrophenyl)methanol (CID 52987794) is (3-chloro-5-nitrophenyl)methanol.
What is the SMILES notation for (3-chloro-5-nitrophenyl)methanol?
The canonical SMILES for (3-chloro-5-nitrophenyl)methanol is O=[N+]([O-])c1cc(Cl)cc(CO)c1.
What is the InChIKey of (3-chloro-5-nitrophenyl)methanol?
The InChIKey is LKBQUSJJIYIBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2.
What are the key properties of (3-chloro-5-nitrophenyl)methanol?
(3-chloro-5-nitrophenyl)methanol has a molecular weight of 187.58 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-nitrophenyl)methanol is sourced from PubChem (CID 52987794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).