benzene;1,2-xylene

C20H22 — CID 161464493

IUPACbenzene;1,2-xylene
SMILESCc1ccccc1C.c1ccccc1.c1ccccc1
InChIInChI=1S/C8H10.2C6H6/c1-7-5-3-4-6-8(7)2;2*1-2-4-6-5-3-1/h3-6H,1-2H3;2*1-6H
InChIKeyWCGAPDJGTHJQJG-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.68
Rot. Bonds

About benzene;1,2-xylene

benzene;1,2-xylene (PubChem CID 161464493) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is benzene;1,2-xylene.

Molecular Properties

Compound Namebenzene;1,2-xylene
PubChem CID161464493
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Namebenzene;1,2-xylene
SMILESCc1ccccc1C.c1ccccc1.c1ccccc1
InChIInChI=1S/C8H10.2C6H6/c1-7-5-3-4-6-8(7)2;2*1-2-4-6-5-3-1/h3-6H,1-2H3;2*1-6H
InChIKeyWCGAPDJGTHJQJG-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-xylene
CID 173422016
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
toluene;pentakis(1,2-xylene)
CID 173348315
toluene;bis(1,2-xylene)
CID 174594728
azane;1,2-xylene;hydrate
CID 158522930
sodium;hydride;1,2-xylene
CID 173009635
ethane;methane;pentakis(1,2-xylene)
CID 158909718

Frequently Asked Questions

What is the IUPAC name of benzene;1,2-xylene?
The IUPAC name of benzene;1,2-xylene (CID 161464493) is benzene;1,2-xylene.
What is the SMILES notation for benzene;1,2-xylene?
The canonical SMILES for benzene;1,2-xylene is Cc1ccccc1C.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1,2-xylene?
The InChIKey is WCGAPDJGTHJQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C6H6/c1-7-5-3-4-6-8(7)2;2*1-2-4-6-5-3-1/h3-6H,1-2H3;2*1-6H.
What are the key properties of benzene;1,2-xylene?
benzene;1,2-xylene has a molecular weight of 262.40 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-xylene is sourced from PubChem (CID 161464493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).