2-(2-methylpropyl)phenol;propane

C13H22O — CID 158609255

IUPAC2-(2-methylpropyl)phenol;propane
SMILESCC(C)Cc1ccccc1O.CCC
InChIInChI=1S/C10H14O.C3H8/c1-8(2)7-9-5-3-4-6-10(9)11;1-3-2/h3-6,8,11H,7H2,1-2H3;3H2,1-2H3
InChIKeyHWPWGORZJIMNIM-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.01
Rot. Bonds2

About 2-(2-methylpropyl)phenol;propane

2-(2-methylpropyl)phenol;propane (PubChem CID 158609255) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(2-methylpropyl)phenol;propane.

Molecular Properties

Compound Name2-(2-methylpropyl)phenol;propane
PubChem CID158609255
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(2-methylpropyl)phenol;propane
SMILESCC(C)Cc1ccccc1O.CCC
InChIInChI=1S/C10H14O.C3H8/c1-8(2)7-9-5-3-4-6-10(9)11;1-3-2/h3-6,8,11H,7H2,1-2H3;3H2,1-2H3
InChIKeyHWPWGORZJIMNIM-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)phenol;propane?
The IUPAC name of 2-(2-methylpropyl)phenol;propane (CID 158609255) is 2-(2-methylpropyl)phenol;propane.
What is the SMILES notation for 2-(2-methylpropyl)phenol;propane?
The canonical SMILES for 2-(2-methylpropyl)phenol;propane is CC(C)Cc1ccccc1O.CCC.
What is the InChIKey of 2-(2-methylpropyl)phenol;propane?
The InChIKey is HWPWGORZJIMNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C3H8/c1-8(2)7-9-5-3-4-6-10(9)11;1-3-2/h3-6,8,11H,7H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)phenol;propane?
2-(2-methylpropyl)phenol;propane has a molecular weight of 194.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)phenol;propane is sourced from PubChem (CID 158609255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).