2,6-dimethyl-4-(2-methylprop-1-enyl)phenol

C12H16O — CID 54502544

IUPAC2,6-dimethyl-4-(2-methylprop-1-enyl)phenol
SMILESCC(C)=Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C12H16O/c1-8(2)5-11-6-9(3)12(13)10(4)7-11/h5-7,13H,1-4H3
InChIKeyYDLMWDHTLWFFAK-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.43
Rot. Bonds1

About 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol

2,6-dimethyl-4-(2-methylprop-1-enyl)phenol (PubChem CID 54502544) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylprop-1-enyl)phenol
PubChem CID54502544
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,6-dimethyl-4-(2-methylprop-1-enyl)phenol
SMILESCC(C)=Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C12H16O/c1-8(2)5-11-6-9(3)12(13)10(4)7-11/h5-7,13H,1-4H3
InChIKeyYDLMWDHTLWFFAK-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol?
The IUPAC name of 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol (CID 54502544) is 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol is CC(C)=Cc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol?
The InChIKey is YDLMWDHTLWFFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8(2)5-11-6-9(3)12(13)10(4)7-11/h5-7,13H,1-4H3.
What are the key properties of 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol?
2,6-dimethyl-4-(2-methylprop-1-enyl)phenol has a molecular weight of 176.26 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylprop-1-enyl)phenol is sourced from PubChem (CID 54502544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).