ethenol;styrene

C10H12O — CID 66670047

IUPACethenol;styrene
SMILESC=CO.C=Cc1ccccc1
InChIInChI=1S/C8H8.C2H4O/c1-2-8-6-4-3-5-7-8;1-2-3/h2-7H,1H2;2-3H,1H2
InChIKeyWGMLSASBENYQJH-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.02
Rot. Bonds1

About ethenol;styrene

ethenol;styrene (PubChem CID 66670047) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is ethenol;styrene.

Molecular Properties

Compound Nameethenol;styrene
PubChem CID66670047
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Nameethenol;styrene
SMILESC=CO.C=Cc1ccccc1
InChIInChI=1S/C8H8.C2H4O/c1-2-8-6-4-3-5-7-8;1-2-3/h2-7H,1H2;2-3H,1H2
InChIKeyWGMLSASBENYQJH-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethenol;styrene?
The IUPAC name of ethenol;styrene (CID 66670047) is ethenol;styrene.
What is the SMILES notation for ethenol;styrene?
The canonical SMILES for ethenol;styrene is C=CO.C=Cc1ccccc1.
What is the InChIKey of ethenol;styrene?
The InChIKey is WGMLSASBENYQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C2H4O/c1-2-8-6-4-3-5-7-8;1-2-3/h2-7H,1H2;2-3H,1H2.
What are the key properties of ethenol;styrene?
ethenol;styrene has a molecular weight of 148.20 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;styrene is sourced from PubChem (CID 66670047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).