2-(2,4,6-trimethylphenyl)propan-1-ol

C12H18O — CID 64989562

IUPAC2-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(C)CO)c(C)c1
InChIInChI=1S/C12H18O/c1-8-5-9(2)12(10(3)6-8)11(4)7-13/h5-6,11,13H,7H2,1-4H3
InChIKeyDBXMHCIEGUDLGH-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.71
Rot. Bonds2

About 2-(2,4,6-trimethylphenyl)propan-1-ol

2-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 64989562) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID64989562
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(C)CO)c(C)c1
InChIInChI=1S/C12H18O/c1-8-5-9(2)12(10(3)6-8)11(4)7-13/h5-6,11,13H,7H2,1-4H3
InChIKeyDBXMHCIEGUDLGH-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
4-methyl-2-(2,4,6-trimethylphenyl)pentan-1-ol
CID 82079911
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281
N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
CID 82077222
2-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 130129687
2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol
CID 43207150
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117401010
4-chloro-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117306028
2-ethyl-3-[2-(2,4,6-trimethylphenyl)propyl]oxirane
CID 83928273
2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
CID 117333428

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-(2,4,6-trimethylphenyl)propan-1-ol (CID 64989562) is 2-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(C)CO)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is DBXMHCIEGUDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8-5-9(2)12(10(3)6-8)11(4)7-13/h5-6,11,13H,7H2,1-4H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)propan-1-ol?
2-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 178.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 64989562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).