1-(2,4,6-trimethylphenoxy)butan-2-ol

C13H20O2 — CID 61218210

IUPAC1-(2,4,6-trimethylphenoxy)butan-2-ol
SMILESCCC(O)COc1c(C)cc(C)cc1C
InChIInChI=1S/C13H20O2/c1-5-12(14)8-15-13-10(3)6-9(2)7-11(13)4/h6-7,12,14H,5,8H2,1-4H3
InChIKeyBWBICYBRTWYKSI-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,4,6-trimethylphenoxy)butan-2-ol

1-(2,4,6-trimethylphenoxy)butan-2-ol (PubChem CID 61218210) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenoxy)butan-2-ol
PubChem CID61218210
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2,4,6-trimethylphenoxy)butan-2-ol
SMILESCCC(O)COc1c(C)cc(C)cc1C
InChIInChI=1S/C13H20O2/c1-5-12(14)8-15-13-10(3)6-9(2)7-11(13)4/h6-7,12,14H,5,8H2,1-4H3
InChIKeyBWBICYBRTWYKSI-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
4-(2-hydroxybutoxy)-3,5-dimethylbenzonitrile
CID 65454290
4-(2-hydroxybutoxy)-3,5-dimethylbenzoic acid
CID 60886659
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium
CID 786489
N-methyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 62041063
1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
CID 103289730
1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 71254072
1-(4-ethylphenyl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 63467021
1-(3,5-dimethylpiperidin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 3415680
1-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]butan-2-ol
CID 112620164
1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 11971912

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenoxy)butan-2-ol?
The IUPAC name of 1-(2,4,6-trimethylphenoxy)butan-2-ol (CID 61218210) is 1-(2,4,6-trimethylphenoxy)butan-2-ol.
What is the SMILES notation for 1-(2,4,6-trimethylphenoxy)butan-2-ol?
The canonical SMILES for 1-(2,4,6-trimethylphenoxy)butan-2-ol is CCC(O)COc1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2,4,6-trimethylphenoxy)butan-2-ol?
The InChIKey is BWBICYBRTWYKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-12(14)8-15-13-10(3)6-9(2)7-11(13)4/h6-7,12,14H,5,8H2,1-4H3.
What are the key properties of 1-(2,4,6-trimethylphenoxy)butan-2-ol?
1-(2,4,6-trimethylphenoxy)butan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenoxy)butan-2-ol is sourced from PubChem (CID 61218210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).