4-ethenyl-2-methylphenol;styrene

C17H18O — CID 158833032

IUPAC4-ethenyl-2-methylphenol;styrene
SMILESC=Cc1ccc(O)c(C)c1.C=Cc1ccccc1
InChIInChI=1S/C9H10O.C8H8/c1-3-8-4-5-9(10)7(2)6-8;1-2-8-6-4-3-5-7-8/h3-6,10H,1H2,2H3;2-7H,1H2
InChIKeyIXHBLGPSEPFMLP-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.67
Rot. Bonds2

About 4-ethenyl-2-methylphenol;styrene

4-ethenyl-2-methylphenol;styrene (PubChem CID 158833032) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-ethenyl-2-methylphenol;styrene.

Molecular Properties

Compound Name4-ethenyl-2-methylphenol;styrene
PubChem CID158833032
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name4-ethenyl-2-methylphenol;styrene
SMILESC=Cc1ccc(O)c(C)c1.C=Cc1ccccc1
InChIInChI=1S/C9H10O.C8H8/c1-3-8-4-5-9(10)7(2)6-8;1-2-8-6-4-3-5-7-8/h3-6,10H,1H2,2H3;2-7H,1H2
InChIKeyIXHBLGPSEPFMLP-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methylphenol;styrene?
The IUPAC name of 4-ethenyl-2-methylphenol;styrene (CID 158833032) is 4-ethenyl-2-methylphenol;styrene.
What is the SMILES notation for 4-ethenyl-2-methylphenol;styrene?
The canonical SMILES for 4-ethenyl-2-methylphenol;styrene is C=Cc1ccc(O)c(C)c1.C=Cc1ccccc1.
What is the InChIKey of 4-ethenyl-2-methylphenol;styrene?
The InChIKey is IXHBLGPSEPFMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C8H8/c1-3-8-4-5-9(10)7(2)6-8;1-2-8-6-4-3-5-7-8/h3-6,10H,1H2,2H3;2-7H,1H2.
What are the key properties of 4-ethenyl-2-methylphenol;styrene?
4-ethenyl-2-methylphenol;styrene has a molecular weight of 238.33 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methylphenol;styrene is sourced from PubChem (CID 158833032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).