1-ethenyl-4-methylbenzene;styrene

C33H34 — CID 159659441

IUPAC1-ethenyl-4-methylbenzene;styrene
SMILESC=Cc1ccc(C)cc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C9H10.3C8H8/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;3*2-7H,1H2
InChIKeyMSPNLYSKVWWQMP-UHFFFAOYSA-N
MW430.64 g/mol
LogP9.63
Rot. Bonds4

About 1-ethenyl-4-methylbenzene;styrene

1-ethenyl-4-methylbenzene;styrene (PubChem CID 159659441) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 1-ethenyl-4-methylbenzene;styrene.

Molecular Properties

Compound Name1-ethenyl-4-methylbenzene;styrene
PubChem CID159659441
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name1-ethenyl-4-methylbenzene;styrene
SMILESC=Cc1ccc(C)cc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/C9H10.3C8H8/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;3*2-7H,1H2
InChIKeyMSPNLYSKVWWQMP-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
1-chloro-4-methylbenzene;styrene
CID 158372531
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
1-ethenyl-4-methylbenzene;methanamine
CID 23466173
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
anthracene;1-ethenyl-4-methylbenzene
CID 174555561
benzene;ethane;styrene
CID 21219610
1-ethenyl-4-fluorobenzene;toluene
CID 170790144
styrene;1,2-xylene;1,3-xylene;1,4-xylene
CID 160527972
chloromethane;styrene
CID 122701035
cadmium;styrene
CID 158944156

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methylbenzene;styrene?
The IUPAC name of 1-ethenyl-4-methylbenzene;styrene (CID 159659441) is 1-ethenyl-4-methylbenzene;styrene.
What is the SMILES notation for 1-ethenyl-4-methylbenzene;styrene?
The canonical SMILES for 1-ethenyl-4-methylbenzene;styrene is C=Cc1ccc(C)cc1.C=Cc1ccccc1.C=Cc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of 1-ethenyl-4-methylbenzene;styrene?
The InChIKey is MSPNLYSKVWWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.3C8H8/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8/h3-7H,1H2,2H3;3*2-7H,1H2.
What are the key properties of 1-ethenyl-4-methylbenzene;styrene?
1-ethenyl-4-methylbenzene;styrene has a molecular weight of 430.64 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methylbenzene;styrene is sourced from PubChem (CID 159659441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).