(E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol

C12H16O — CID 11816172

IUPAC(E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
SMILESCc1cc(C)c(/C=C/CO)c(C)c1
InChIInChI=1S/C12H16O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKeyBVUVTKNRNIVRRY-SNAWJCMRSA-N
MW176.26 g/mol
LogP2.62
Rot. Bonds2

About (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol

(E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol (PubChem CID 11816172) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
PubChem CID11816172
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
SMILESCc1cc(C)c(/C=C/CO)c(C)c1
InChIInChI=1S/C12H16O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKeyBVUVTKNRNIVRRY-SNAWJCMRSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol (CID 11816172) is (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol is Cc1cc(C)c(/C=C/CO)c(C)c1.
What is the InChIKey of (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The InChIKey is BVUVTKNRNIVRRY-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-5,7-8,13H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
(E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 11816172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).