styrene;1,2-xylene;1,3-xylene;1,4-xylene

C32H38 — CID 160527972

IUPACstyrene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESC=Cc1ccccc1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/3C8H10.C8H8/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3*3-6H,1-2H3;2-7H,1H2
InChIKeyQVDULANEQIYSBT-UHFFFAOYSA-N
MW422.66 g/mol
LogP9.24
Rot. Bonds1

About styrene;1,2-xylene;1,3-xylene;1,4-xylene

styrene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 160527972) has the molecular formula C32H38 and a molecular weight of 422.66 g/mol. Its IUPAC name is styrene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Namestyrene;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID160527972
Molecular FormulaC32H38
Molecular Weight422.66 g/mol
Exact Mass422.30
IUPAC Namestyrene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESC=Cc1ccccc1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/3C8H10.C8H8/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3*3-6H,1-2H3;2-7H,1H2
InChIKeyQVDULANEQIYSBT-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of styrene;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of styrene;1,2-xylene;1,3-xylene;1,4-xylene (CID 160527972) is styrene;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for styrene;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for styrene;1,2-xylene;1,3-xylene;1,4-xylene is C=Cc1ccccc1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C.
What is the InChIKey of styrene;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is QVDULANEQIYSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10.C8H8/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3*3-6H,1-2H3;2-7H,1H2.
What are the key properties of styrene;1,2-xylene;1,3-xylene;1,4-xylene?
styrene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 422.66 g/mol, XLogP of 9.24, 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;1,3-xylene;1,4-xylene is sourced from PubChem (CID 160527972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).