benzene;ethene;phenol;styrene

C26H32O — CID 174599559

IUPACbenzene;ethene;phenol;styrene
SMILESC=C.C=C.C=C.C=Cc1ccccc1.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C8H8.C6H6O.C6H6.3C2H4/c1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;3*1-2/h2-7H,1H2;1-5,7H;1-6H;3*1-2H2
InChIKeyIIKWDJYUJMUZKS-UHFFFAOYSA-N
MW360.54 g/mol
LogP7.82
Rot. Bonds1

About benzene;ethene;phenol;styrene

benzene;ethene;phenol;styrene (PubChem CID 174599559) has the molecular formula C26H32O and a molecular weight of 360.54 g/mol. Its IUPAC name is benzene;ethene;phenol;styrene.

Molecular Properties

Compound Namebenzene;ethene;phenol;styrene
PubChem CID174599559
Molecular FormulaC26H32O
Molecular Weight360.54 g/mol
Exact Mass360.25
IUPAC Namebenzene;ethene;phenol;styrene
SMILESC=C.C=C.C=C.C=Cc1ccccc1.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C8H8.C6H6O.C6H6.3C2H4/c1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;3*1-2/h2-7H,1H2;1-5,7H;1-6H;3*1-2H2
InChIKeyIIKWDJYUJMUZKS-UHFFFAOYSA-N
XLogP7.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

P-Cresol
CID 2879
Diethylstilbestrol
CID 448537
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
Hexestrol
CID 192197
Bis(4-hydroxyphenyl)methane
CID 12111
4-Ethylphenol
CID 31242
4,4'-Dihydroxybiphenyl
CID 7112
4-Hydroxybiphenyl
CID 7103
(+)-Bakuchiol
CID 5468522
1,1-Bis(4-hydroxyphenyl)cyclohexane
CID 232446
4-Vinylphenol
CID 62453

Frequently Asked Questions

What is the IUPAC name of benzene;ethene;phenol;styrene?
The IUPAC name of benzene;ethene;phenol;styrene (CID 174599559) is benzene;ethene;phenol;styrene.
What is the SMILES notation for benzene;ethene;phenol;styrene?
The canonical SMILES for benzene;ethene;phenol;styrene is C=C.C=C.C=C.C=Cc1ccccc1.Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethene;phenol;styrene?
The InChIKey is IIKWDJYUJMUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H6O.C6H6.3C2H4/c1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;3*1-2/h2-7H,1H2;1-5,7H;1-6H;3*1-2H2.
What are the key properties of benzene;ethene;phenol;styrene?
benzene;ethene;phenol;styrene has a molecular weight of 360.54 g/mol, XLogP of 7.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethene;phenol;styrene is sourced from PubChem (CID 174599559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).