1,4-xylene

C8H10 — CID 7809

IUPAC1,4-xylene
SMILESCc1ccc(C)cc1
InChIInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKeyURLKBWYHVLBVBO-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.30
Rot. Bonds

About 1,4-xylene

1,4-xylene (PubChem CID 7809) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 1,4-xylene.

Molecular Properties

Compound Name1,4-xylene
PubChem CID7809
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name1,4-xylene
SMILESCc1ccc(C)cc1
InChIInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKeyURLKBWYHVLBVBO-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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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of 1,4-xylene?
The IUPAC name of 1,4-xylene (CID 7809) is 1,4-xylene.
What is the SMILES notation for 1,4-xylene?
The canonical SMILES for 1,4-xylene is Cc1ccc(C)cc1.
What is the InChIKey of 1,4-xylene?
The InChIKey is URLKBWYHVLBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3.
What are the key properties of 1,4-xylene?
1,4-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 1,4-xylene is sourced from PubChem (CID 7809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).