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

C12H18O — CID 18048

IUPAC2,4-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3
InChIKeyKEUMBYCOWGLRBQ-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.64
Rot. Bonds2

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

2,4-di(propan-2-yl)phenol (PubChem CID 18048) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2,4-di(propan-2-yl)phenol
PubChem CID18048
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2,4-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3
InChIKeyKEUMBYCOWGLRBQ-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836
4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
CID 19352790
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
CID 23156082
2,5-dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 586439
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
5-propan-2-yl-2-(1-sulfanylethyl)phenol
CID 135213072
2-tert-butyl-4-propan-2-ylphenol
CID 24240
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)phenol?
The IUPAC name of 2,4-di(propan-2-yl)phenol (CID 18048) is 2,4-di(propan-2-yl)phenol.
What is the SMILES notation for 2,4-di(propan-2-yl)phenol?
The canonical SMILES for 2,4-di(propan-2-yl)phenol is CC(C)c1ccc(O)c(C(C)C)c1.
What is the InChIKey of 2,4-di(propan-2-yl)phenol?
The InChIKey is KEUMBYCOWGLRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)phenol?
2,4-di(propan-2-yl)phenol has a molecular weight of 178.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)phenol is sourced from PubChem (CID 18048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).