2,3-bis(2-methylpropyl)-4-propan-2-ylphenol

C17H28O — CID 139802113

IUPAC2,3-bis(2-methylpropyl)-4-propan-2-ylphenol
SMILESCC(C)Cc1c(O)ccc(C(C)C)c1CC(C)C
InChIInChI=1S/C17H28O/c1-11(2)9-15-14(13(5)6)7-8-17(18)16(15)10-12(3)4/h7-8,11-13,18H,9-10H2,1-6H3
InChIKeyXYVAVDUIOSZOEA-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.91
Rot. Bonds5

About 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol

2,3-bis(2-methylpropyl)-4-propan-2-ylphenol (PubChem CID 139802113) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2,3-bis(2-methylpropyl)-4-propan-2-ylphenol
PubChem CID139802113
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2,3-bis(2-methylpropyl)-4-propan-2-ylphenol
SMILESCC(C)Cc1c(O)ccc(C(C)C)c1CC(C)C
InChIInChI=1S/C17H28O/c1-11(2)9-15-14(13(5)6)7-8-17(18)16(15)10-12(3)4/h7-8,11-13,18H,9-10H2,1-6H3
InChIKeyXYVAVDUIOSZOEA-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4-propan-2-yl-2-sulfanylphenol
CID 54182488
[4-hydroxy-2,3-bis(2-methylpropyl)phenyl]methanesulfonic acid
CID 158148866
2-fluoro-4-methyl-3-(2-methylpropyl)phenol
CID 130177584
2-(2-hydroxyethyl)-3,6-di(propan-2-yl)phenol
CID 117318714
2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
CID 117343674
3-fluoro-2,4-di(propan-2-yl)phenol
CID 174716434
1-(2-methylpropyl)-2,3,4-tri(propan-2-yl)benzene
CID 140816630
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
CID 117379906
2-chloro-3-fluoro-4-propan-2-ylphenol
CID 137471064
5-(hydroxymethyl)-2-propan-2-ylphenol
CID 14002478
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
2,4-di(propan-2-yl)phenol
CID 18048

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol?
The IUPAC name of 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol (CID 139802113) is 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol.
What is the SMILES notation for 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol?
The canonical SMILES for 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol is CC(C)Cc1c(O)ccc(C(C)C)c1CC(C)C.
What is the InChIKey of 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol?
The InChIKey is XYVAVDUIOSZOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-11(2)9-15-14(13(5)6)7-8-17(18)16(15)10-12(3)4/h7-8,11-13,18H,9-10H2,1-6H3.
What are the key properties of 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol?
2,3-bis(2-methylpropyl)-4-propan-2-ylphenol has a molecular weight of 248.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methylpropyl)-4-propan-2-ylphenol is sourced from PubChem (CID 139802113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).