(3,6-dichloro-2-nitrophenyl)methanol

C7H5Cl2NO3 — CID 131014118

IUPAC(3,6-dichloro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1c(Cl)ccc(Cl)c1CO
InChIInChI=1S/C7H5Cl2NO3/c8-5-1-2-6(9)7(10(12)13)4(5)3-11/h1-2,11H,3H2
InChIKeyUOFIPZWQYGTFSU-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.39
Rot. Bonds2

About (3,6-dichloro-2-nitrophenyl)methanol

(3,6-dichloro-2-nitrophenyl)methanol (PubChem CID 131014118) has the molecular formula C7H5Cl2NO3 and a molecular weight of 222.03 g/mol. Its IUPAC name is (3,6-dichloro-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(3,6-dichloro-2-nitrophenyl)methanol
PubChem CID131014118
Molecular FormulaC7H5Cl2NO3
Molecular Weight222.03 g/mol
Exact Mass220.96
IUPAC Name(3,6-dichloro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1c(Cl)ccc(Cl)c1CO
InChIInChI=1S/C7H5Cl2NO3/c8-5-1-2-6(9)7(10(12)13)4(5)3-11/h1-2,11H,3H2
InChIKeyUOFIPZWQYGTFSU-UHFFFAOYSA-N
XLogP2.39
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.39
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

(2,3-dichloro-6-nitrophenyl)methanol
CID 11160370
2-(6-chloro-3-methyl-2-nitrophenyl)acetic acid
CID 131618549
2-benzyl-1-bromo-4-chloro-3-nitrobenzene
CID 141415217
2-(4-chloro-2-methyl-3-nitrophenyl)acetic acid
CID 118833851
3,6-dichloro-2-nitroaniline
CID 3576459
[2-nitro-3,6-bis(trifluoromethyl)phenyl]methanol
CID 134638915
1,4-dichloro-2-nitro-3-(trifluoromethyl)benzene
CID 142650771
2-(2,6-dichloro-3-nitrophenyl)acetic acid
CID 54265437
3,4-dichloro-2-nitrobenzoic acid
CID 20516693
2-(3-chloro-2-nitroanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107849238
[2-chloro-6-(2-chloro-5-nitrophenoxy)phenyl]methanol
CID 63992960
2-(6-chloro-2,3-dinitrophenyl)acetaldehyde
CID 54324758

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-nitrophenyl)methanol?
The IUPAC name of (3,6-dichloro-2-nitrophenyl)methanol (CID 131014118) is (3,6-dichloro-2-nitrophenyl)methanol.
What is the SMILES notation for (3,6-dichloro-2-nitrophenyl)methanol?
The canonical SMILES for (3,6-dichloro-2-nitrophenyl)methanol is O=[N+]([O-])c1c(Cl)ccc(Cl)c1CO.
What is the InChIKey of (3,6-dichloro-2-nitrophenyl)methanol?
The InChIKey is UOFIPZWQYGTFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO3/c8-5-1-2-6(9)7(10(12)13)4(5)3-11/h1-2,11H,3H2.
What are the key properties of (3,6-dichloro-2-nitrophenyl)methanol?
(3,6-dichloro-2-nitrophenyl)methanol has a molecular weight of 222.03 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-nitrophenyl)methanol is sourced from PubChem (CID 131014118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).