1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol

C13H19FO2 — CID 105131331

IUPAC1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
SMILESCc1cc(F)ccc1CC(O)COC(C)C
InChIInChI=1S/C13H19FO2/c1-9(2)16-8-13(15)7-11-4-5-12(14)6-10(11)3/h4-6,9,13,15H,7-8H2,1-3H3
InChIKeyOEOLVGUSTCQEOC-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.46
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol

1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol (PubChem CID 105131331) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
PubChem CID105131331
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
SMILESCc1cc(F)ccc1CC(O)COC(C)C
InChIInChI=1S/C13H19FO2/c1-9(2)16-8-13(15)7-11-4-5-12(14)6-10(11)3/h4-6,9,13,15H,7-8H2,1-3H3
InChIKeyOEOLVGUSTCQEOC-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol 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

1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347515
1-(5-chloro-2-fluorophenyl)-3-propan-2-yloxypropan-2-ol
CID 103053467
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105131232
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112697844
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
ethyl 3-(4-fluoro-2-methylphenyl)-2-hydroxypropanoate
CID 114346916
1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol (CID 105131331) is 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol is Cc1cc(F)ccc1CC(O)COC(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is OEOLVGUSTCQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-9(2)16-8-13(15)7-11-4-5-12(14)6-10(11)3/h4-6,9,13,15H,7-8H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol?
1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 226.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 105131331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).