(5-chloro-2-nitrophenyl)methanol

C7H6ClNO3 — CID 556066

IUPAC(5-chloro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1CO
InChIInChI=1S/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2
InChIKeyULYZTHQGJXPEFT-UHFFFAOYSA-N
MW187.58 g/mol
LogP1.74
Rot. Bonds2

About (5-chloro-2-nitrophenyl)methanol

(5-chloro-2-nitrophenyl)methanol (PubChem CID 556066) has the molecular formula C7H6ClNO3 and a molecular weight of 187.58 g/mol. Its IUPAC name is (5-chloro-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-nitrophenyl)methanol
PubChem CID556066
Molecular FormulaC7H6ClNO3
Molecular Weight187.58 g/mol
Exact Mass187.00
IUPAC Name(5-chloro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1CO
InChIInChI=1S/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2
InChIKeyULYZTHQGJXPEFT-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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Related Compounds

2-Nitrobenzyl alcohol
CID 11923
4-Chloro-3-nitrobenzyl alcohol
CID 91933
2-Chloro-4-nitrobenzyl alcohol
CID 104147
2-Chloro-5-nitrobenzyl alcohol
CID 555722
2-Amino-5-chlorobenzyl alcohol
CID 586754
3-Chloro-2-nitrobenzyl alcohol
CID 10012695
1-Chloro-3-(methoxymethyl)-2-nitrobenzene
CID 12090361
4-Chloro-2-(methoxymethyl)-1-nitrobenzene
CID 13337800
1-(4-Chloro-2-nitrophenyl)ethanol
CID 21934721
4-Chloro-2-nitrobenzyl alcohol
CID 89956
2-(2-Chloro-6-nitrophenyl)ethanol
CID 700810
(2,6-Dichloro-3-nitrophenyl)methanol
CID 2794914

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-nitrophenyl)methanol?
The IUPAC name of (5-chloro-2-nitrophenyl)methanol (CID 556066) is (5-chloro-2-nitrophenyl)methanol.
What is the SMILES notation for (5-chloro-2-nitrophenyl)methanol?
The canonical SMILES for (5-chloro-2-nitrophenyl)methanol is O=[N+]([O-])c1ccc(Cl)cc1CO.
What is the InChIKey of (5-chloro-2-nitrophenyl)methanol?
The InChIKey is ULYZTHQGJXPEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2.
What are the key properties of (5-chloro-2-nitrophenyl)methanol?
(5-chloro-2-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 (5-chloro-2-nitrophenyl)methanol is sourced from PubChem (CID 556066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).