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

C24H30 — CID 6850715

IUPAC1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/3C8H10/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/h3*3-6H,1-2H3
InChIKeyMVZVDAGWAAZJPE-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.91
Rot. Bonds

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

1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 6850715) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID6850715
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/3C8H10/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/h3*3-6H,1-2H3
InChIKeyMVZVDAGWAAZJPE-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-xylene;1,3-xylene;1,4-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 1,2-xylene;1,3-xylene;1,4-xylene (CID 6850715) is 1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1,2-xylene;1,3-xylene;1,4-xylene is Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C.
What is the InChIKey of 1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is MVZVDAGWAAZJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10/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/h3*3-6H,1-2H3.
What are the key properties of 1,2-xylene;1,3-xylene;1,4-xylene?
1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 318.50 g/mol, XLogP of 6.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 6850715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).