1,3-xylene

C8H10 — CID 7929

IUPAC1,3-xylene
SMILESCc1cccc(C)c1
InChIInChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
InChIKeyIVSZLXZYQVIEFR-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.30
Rot. Bonds

About 1,3-xylene

1,3-xylene (PubChem CID 7929) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 1,3-xylene.

Molecular Properties

Compound Name1,3-xylene
PubChem CID7929
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name1,3-xylene
SMILESCc1cccc(C)c1
InChIInChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
InChIKeyIVSZLXZYQVIEFR-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-xylene?
The IUPAC name of 1,3-xylene (CID 7929) is 1,3-xylene.
What is the SMILES notation for 1,3-xylene?
The canonical SMILES for 1,3-xylene is Cc1cccc(C)c1.
What is the InChIKey of 1,3-xylene?
The InChIKey is IVSZLXZYQVIEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3.
What are the key properties of 1,3-xylene?
1,3-xylene has a molecular weight of 106.17 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-xylene is sourced from PubChem (CID 7929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).