2-propan-2-ylphenol;styrene

C17H20O — CID 161412520

IUPAC2-propan-2-ylphenol;styrene
SMILESC=Cc1ccccc1.CC(C)c1ccccc1O
InChIInChI=1S/C9H12O.C8H8/c1-7(2)8-5-3-4-6-9(8)10;1-2-8-6-4-3-5-7-8/h3-7,10H,1-2H3;2-7H,1H2
InChIKeyVVQVPRFBUKGXJN-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.85
Rot. Bonds2

About 2-propan-2-ylphenol;styrene

2-propan-2-ylphenol;styrene (PubChem CID 161412520) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-propan-2-ylphenol;styrene.

Molecular Properties

Compound Name2-propan-2-ylphenol;styrene
PubChem CID161412520
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-propan-2-ylphenol;styrene
SMILESC=Cc1ccccc1.CC(C)c1ccccc1O
InChIInChI=1S/C9H12O.C8H8/c1-7(2)8-5-3-4-6-9(8)10;1-2-8-6-4-3-5-7-8/h3-7,10H,1-2H3;2-7H,1H2
InChIKeyVVQVPRFBUKGXJN-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lithium;hydride;2-propan-2-ylphenol
CID 175276368
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
2-propan-2-ylphenol;prop-2-enylbenzene
CID 175237789
methane;phenol;bis(2-propan-2-ylphenol)
CID 162153244
benzene;ethane;styrene
CID 21219610
phenol;styrene
CID 160675765
chloromethane;styrene
CID 122701035
ethenol;styrene
CID 66670047
hydroxylamine;styrene
CID 18314782
methyl(triphenyl)phosphanium;styrene
CID 174886967
2-methylpropanal;styrene
CID 142676014
benzene;ethene;styrene
CID 159006852

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylphenol;styrene?
The IUPAC name of 2-propan-2-ylphenol;styrene (CID 161412520) is 2-propan-2-ylphenol;styrene.
What is the SMILES notation for 2-propan-2-ylphenol;styrene?
The canonical SMILES for 2-propan-2-ylphenol;styrene is C=Cc1ccccc1.CC(C)c1ccccc1O.
What is the InChIKey of 2-propan-2-ylphenol;styrene?
The InChIKey is VVQVPRFBUKGXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H8/c1-7(2)8-5-3-4-6-9(8)10;1-2-8-6-4-3-5-7-8/h3-7,10H,1-2H3;2-7H,1H2.
What are the key properties of 2-propan-2-ylphenol;styrene?
2-propan-2-ylphenol;styrene has a molecular weight of 240.35 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylphenol;styrene is sourced from PubChem (CID 161412520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).