5-methyl-2,4-di(propan-2-yl)phenol

C13H20O — CID 527839

IUPAC5-methyl-2,4-di(propan-2-yl)phenol
SMILESCc1cc(O)c(C(C)C)cc1C(C)C
InChIInChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3
InChIKeyNNSNIMZGXLISCO-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.95
Rot. Bonds2

About 5-methyl-2,4-di(propan-2-yl)phenol

5-methyl-2,4-di(propan-2-yl)phenol (PubChem CID 527839) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-methyl-2,4-di(propan-2-yl)phenol.

Molecular Properties

Compound Name5-methyl-2,4-di(propan-2-yl)phenol
PubChem CID527839
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-methyl-2,4-di(propan-2-yl)phenol
SMILESCc1cc(O)c(C(C)C)cc1C(C)C
InChIInChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3
InChIKeyNNSNIMZGXLISCO-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-di(propan-2-yl)phenol?
The IUPAC name of 5-methyl-2,4-di(propan-2-yl)phenol (CID 527839) is 5-methyl-2,4-di(propan-2-yl)phenol.
What is the SMILES notation for 5-methyl-2,4-di(propan-2-yl)phenol?
The canonical SMILES for 5-methyl-2,4-di(propan-2-yl)phenol is Cc1cc(O)c(C(C)C)cc1C(C)C.
What is the InChIKey of 5-methyl-2,4-di(propan-2-yl)phenol?
The InChIKey is NNSNIMZGXLISCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3.
What are the key properties of 5-methyl-2,4-di(propan-2-yl)phenol?
5-methyl-2,4-di(propan-2-yl)phenol has a molecular weight of 192.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-di(propan-2-yl)phenol is sourced from PubChem (CID 527839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).