3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol

C17H20O2 — CID 116693276

IUPAC3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
SMILESCc1cccc(C)c1OCCC(O)c1ccccc1
InChIInChI=1S/C17H20O2/c1-13-7-6-8-14(2)17(13)19-12-11-16(18)15-9-4-3-5-10-15/h3-10,16,18H,11-12H2,1-2H3
InChIKeyHHYRYMTZOJMIFO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.81
Rot. Bonds5

About 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol

3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol (PubChem CID 116693276) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
PubChem CID116693276
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
SMILESCc1cccc(C)c1OCCC(O)c1ccccc1
InChIInChI=1S/C17H20O2/c1-13-7-6-8-14(2)17(13)19-12-11-16(18)15-9-4-3-5-10-15/h3-10,16,18H,11-12H2,1-2H3
InChIKeyHHYRYMTZOJMIFO-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-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

3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
2-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanoic acid
CID 112508828
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
1-phenyl-3-trimethylsilyloxypropan-1-ol
CID 100965163
[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7733701
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
CID 63628446
2-phenyl-4-(2,4,6-trimethylphenoxy)butanoic acid
CID 82136541

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol?
The IUPAC name of 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol (CID 116693276) is 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol is Cc1cccc(C)c1OCCC(O)c1ccccc1.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol?
The InChIKey is HHYRYMTZOJMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13-7-6-8-14(2)17(13)19-12-11-16(18)15-9-4-3-5-10-15/h3-10,16,18H,11-12H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol?
3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 116693276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).