(4-methylphenyl)-propoxymethanol

C11H16O2 — CID 142200249

IUPAC(4-methylphenyl)-propoxymethanol
SMILESCCCOC(O)c1ccc(C)cc1
InChIInChI=1S/C11H16O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3
InChIKeySMWZXTDRCLJBJS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.41
Rot. Bonds4

About (4-methylphenyl)-propoxymethanol

(4-methylphenyl)-propoxymethanol (PubChem CID 142200249) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4-methylphenyl)-propoxymethanol.

Molecular Properties

Compound Name(4-methylphenyl)-propoxymethanol
PubChem CID142200249
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4-methylphenyl)-propoxymethanol
SMILESCCCOC(O)c1ccc(C)cc1
InChIInChI=1S/C11H16O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3
InChIKeySMWZXTDRCLJBJS-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-methylphenyl)-propoxymethanol 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

2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol
CID 129088325
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
3-(4-methylphenoxy)propoxy-phenylmethanol
CID 57023348
2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
propyl 3-hydroxy-3-(4-methylphenyl)propanoate
CID 73003884
[3-(aminomethyl)phenyl]-propoxymethanol
CID 143382418
(4-methylphenyl)-propan-2-yloxymethanol
CID 148608067
octadecoxy(phenyl)methanol
CID 141167921
nonoxy(phenyl)methanol
CID 70405769
butyl 4-[butoxy(hydroxy)methyl]benzoate
CID 134568842
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-propoxymethanol?
The IUPAC name of (4-methylphenyl)-propoxymethanol (CID 142200249) is (4-methylphenyl)-propoxymethanol.
What is the SMILES notation for (4-methylphenyl)-propoxymethanol?
The canonical SMILES for (4-methylphenyl)-propoxymethanol is CCCOC(O)c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-propoxymethanol?
The InChIKey is SMWZXTDRCLJBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3.
What are the key properties of (4-methylphenyl)-propoxymethanol?
(4-methylphenyl)-propoxymethanol has a molecular weight of 180.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-propoxymethanol is sourced from PubChem (CID 142200249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).