(3-methyl-5-nitrophenyl)methanol

C8H9NO3 — CID 14033015

IUPAC(3-methyl-5-nitrophenyl)methanol
SMILESCc1cc(CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H9NO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10H,5H2,1H3
InChIKeyIVYZQNHRDOGBHH-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.40
Rot. Bonds2

About (3-methyl-5-nitrophenyl)methanol

(3-methyl-5-nitrophenyl)methanol (PubChem CID 14033015) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (3-methyl-5-nitrophenyl)methanol.

Molecular Properties

Compound Name(3-methyl-5-nitrophenyl)methanol
PubChem CID14033015
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(3-methyl-5-nitrophenyl)methanol
SMILESCc1cc(CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H9NO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10H,5H2,1H3
InChIKeyIVYZQNHRDOGBHH-UHFFFAOYSA-N
XLogP1.40
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.40
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'}

Analyze (3-methyl-5-nitrophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(hydroxymethyl)-5-nitrophenyl]methanol
CID 603032
1-methyl-3-nitro-5-(nitromethyl)benzene
CID 101326859
(3-methyl-5-nitrophenyl)methanesulfonic acid
CID 156806193
3-(3-methyl-5-nitrophenyl)prop-2-en-1-ol
CID 169453704
[3-(aminomethyl)-5-nitrophenyl]methanol
CID 143211941
4-(3-methyl-5-nitrophenyl)but-3-en-1-ol
CID 170477002
[3-(hydroxymethyl)-5-nitrophenyl]boronic acid
CID 140787923
methyl 3-(hydroxymethyl)-5-nitrobenzoate
CID 10703703
[3-(2-methoxyethoxy)-5-nitrophenyl]methanol
CID 177331610
2-(3-methyl-5-nitrophenyl)sulfanylethanol
CID 112649391
N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-5-nitrobenzamide
CID 113396279
1-[(3-methyl-5-nitrophenyl)methyl]piperazine
CID 82510494

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-nitrophenyl)methanol?
The IUPAC name of (3-methyl-5-nitrophenyl)methanol (CID 14033015) is (3-methyl-5-nitrophenyl)methanol.
What is the SMILES notation for (3-methyl-5-nitrophenyl)methanol?
The canonical SMILES for (3-methyl-5-nitrophenyl)methanol is Cc1cc(CO)cc([N+](=O)[O-])c1.
What is the InChIKey of (3-methyl-5-nitrophenyl)methanol?
The InChIKey is IVYZQNHRDOGBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10H,5H2,1H3.
What are the key properties of (3-methyl-5-nitrophenyl)methanol?
(3-methyl-5-nitrophenyl)methanol has a molecular weight of 167.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-nitrophenyl)methanol is sourced from PubChem (CID 14033015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).