(2-chloro-6-methyl-3-nitrophenyl)methanol

C8H8ClNO3 — CID 130826389

IUPAC(2-chloro-6-methyl-3-nitrophenyl)methanol
SMILESCc1ccc([N+](=O)[O-])c(Cl)c1CO
InChIInChI=1S/C8H8ClNO3/c1-5-2-3-7(10(12)13)8(9)6(5)4-11/h2-3,11H,4H2,1H3
InChIKeyJNQPPOXKXPGRHK-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.05
Rot. Bonds2

About (2-chloro-6-methyl-3-nitrophenyl)methanol

(2-chloro-6-methyl-3-nitrophenyl)methanol (PubChem CID 130826389) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is (2-chloro-6-methyl-3-nitrophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methyl-3-nitrophenyl)methanol
PubChem CID130826389
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name(2-chloro-6-methyl-3-nitrophenyl)methanol
SMILESCc1ccc([N+](=O)[O-])c(Cl)c1CO
InChIInChI=1S/C8H8ClNO3/c1-5-2-3-7(10(12)13)8(9)6(5)4-11/h2-3,11H,4H2,1H3
InChIKeyJNQPPOXKXPGRHK-UHFFFAOYSA-N
XLogP2.05
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 52.05
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-chloro-1-(2-chloro-6-methyl-3-nitrophenyl)ethanone
CID 131434082
2-chloro-6-methyl-3-nitrobenzaldehyde
CID 119014184
2-(2,6-dichloro-3-nitrophenyl)acetic acid
CID 54265437
(3-bromo-6-methyl-2-nitrophenyl)methanol
CID 130776681
1-(2,6-dichloro-3-nitrophenyl)propan-2-amine
CID 131531071
3-(2,6-dichloro-3-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865387
2-(hydroxymethyl)-3-methyl-4-nitrobenzonitrile
CID 170995800
2-chloro-3-methoxy-1-methyl-4-nitrobenzene
CID 119002827
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
3-chloro-2-(difluoromethoxy)-1-methyl-4-nitrobenzene
CID 134625946
[2-methyl-6-nitro-3-(trifluoromethyl)phenyl]methanol
CID 131328450

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methyl-3-nitrophenyl)methanol?
The IUPAC name of (2-chloro-6-methyl-3-nitrophenyl)methanol (CID 130826389) is (2-chloro-6-methyl-3-nitrophenyl)methanol.
What is the SMILES notation for (2-chloro-6-methyl-3-nitrophenyl)methanol?
The canonical SMILES for (2-chloro-6-methyl-3-nitrophenyl)methanol is Cc1ccc([N+](=O)[O-])c(Cl)c1CO.
What is the InChIKey of (2-chloro-6-methyl-3-nitrophenyl)methanol?
The InChIKey is JNQPPOXKXPGRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-5-2-3-7(10(12)13)8(9)6(5)4-11/h2-3,11H,4H2,1H3.
What are the key properties of (2-chloro-6-methyl-3-nitrophenyl)methanol?
(2-chloro-6-methyl-3-nitrophenyl)methanol has a molecular weight of 201.61 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-3-nitrophenyl)methanol is sourced from PubChem (CID 130826389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).