3,5-dimethyl-2-(2-methylpentan-2-yl)phenol

C14H22O — CID 118028317

IUPAC3,5-dimethyl-2-(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1c(C)cc(C)cc1O
InChIInChI=1S/C14H22O/c1-6-7-14(4,5)13-11(3)8-10(2)9-12(13)15/h8-9,15H,6-7H2,1-5H3
InChIKeyFDKLTACNEFBACW-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.09
Rot. Bonds3

About 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol

3,5-dimethyl-2-(2-methylpentan-2-yl)phenol (PubChem CID 118028317) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-methylpentan-2-yl)phenol
PubChem CID118028317
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3,5-dimethyl-2-(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1c(C)cc(C)cc1O
InChIInChI=1S/C14H22O/c1-6-7-14(4,5)13-11(3)8-10(2)9-12(13)15/h8-9,15H,6-7H2,1-5H3
InChIKeyFDKLTACNEFBACW-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol?
The IUPAC name of 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol (CID 118028317) is 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol.
What is the SMILES notation for 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol?
The canonical SMILES for 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol is CCCC(C)(C)c1c(C)cc(C)cc1O.
What is the InChIKey of 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol?
The InChIKey is FDKLTACNEFBACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-7-14(4,5)13-11(3)8-10(2)9-12(13)15/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol?
3,5-dimethyl-2-(2-methylpentan-2-yl)phenol has a molecular weight of 206.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-methylpentan-2-yl)phenol is sourced from PubChem (CID 118028317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).