styrene;1,2-xylene

C16H18 — CID 6455840

IUPACstyrene;1,2-xylene
SMILESC=Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C8H10.C8H8/c1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3-6H,1-2H3;2-7H,1H2
InChIKeyJOPUGMCRSOXVGT-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.63
Rot. Bonds1

About styrene;1,2-xylene

styrene;1,2-xylene (PubChem CID 6455840) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is styrene;1,2-xylene.

Molecular Properties

Compound Namestyrene;1,2-xylene
PubChem CID6455840
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Namestyrene;1,2-xylene
SMILESC=Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C8H10.C8H8/c1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3-6H,1-2H3;2-7H,1H2
InChIKeyJOPUGMCRSOXVGT-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of styrene;1,2-xylene?
The IUPAC name of styrene;1,2-xylene (CID 6455840) is styrene;1,2-xylene.
What is the SMILES notation for styrene;1,2-xylene?
The canonical SMILES for styrene;1,2-xylene is C=Cc1ccccc1.Cc1ccccc1C.
What is the InChIKey of styrene;1,2-xylene?
The InChIKey is JOPUGMCRSOXVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C8H8/c1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3-6H,1-2H3;2-7H,1H2.
What are the key properties of styrene;1,2-xylene?
styrene;1,2-xylene has a molecular weight of 210.32 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;1,2-xylene is sourced from PubChem (CID 6455840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).