2-(2,4-dimethylphenoxy)propan-1-ol

C11H16O2 — CID 82075061

IUPAC2-(2,4-dimethylphenoxy)propan-1-ol
SMILESCc1ccc(OC(C)CO)c(C)c1
InChIInChI=1S/C11H16O2/c1-8-4-5-11(9(2)6-8)13-10(3)7-12/h4-6,10,12H,7H2,1-3H3
InChIKeyYUUBWKOJXOAIMR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.06
Rot. Bonds3

About 2-(2,4-dimethylphenoxy)propan-1-ol

2-(2,4-dimethylphenoxy)propan-1-ol (PubChem CID 82075061) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)propan-1-ol
PubChem CID82075061
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(2,4-dimethylphenoxy)propan-1-ol
SMILESCc1ccc(OC(C)CO)c(C)c1
InChIInChI=1S/C11H16O2/c1-8-4-5-11(9(2)6-8)13-10(3)7-12/h4-6,10,12H,7H2,1-3H3
InChIKeyYUUBWKOJXOAIMR-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol
CID 58242000
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229
4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
CID 64707879
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-1-ol
CID 114266691
3-amino-2-(2,4-dimethylphenoxy)hexan-1-ol
CID 114357844
(2S)-2-(2,4-dimethylphenoxy)propanoyl chloride
CID 51663759
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)propan-1-ol?
The IUPAC name of 2-(2,4-dimethylphenoxy)propan-1-ol (CID 82075061) is 2-(2,4-dimethylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)propan-1-ol?
The canonical SMILES for 2-(2,4-dimethylphenoxy)propan-1-ol is Cc1ccc(OC(C)CO)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)propan-1-ol?
The InChIKey is YUUBWKOJXOAIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-4-5-11(9(2)6-8)13-10(3)7-12/h4-6,10,12H,7H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)propan-1-ol?
2-(2,4-dimethylphenoxy)propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)propan-1-ol is sourced from PubChem (CID 82075061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).