1,4-dimethoxybenzene

C8H10O2 — CID 9016

IUPAC1,4-dimethoxybenzene
SMILESCOc1ccc(OC)cc1
InChIInChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
InChIKeyOHBQPCCCRFSCAX-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.70
Rot. Bonds2

About 1,4-dimethoxybenzene

1,4-dimethoxybenzene (PubChem CID 9016) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1,4-dimethoxybenzene.

Molecular Properties

Compound Name1,4-dimethoxybenzene
PubChem CID9016
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1,4-dimethoxybenzene
SMILESCOc1ccc(OC)cc1
InChIInChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
InChIKeyOHBQPCCCRFSCAX-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Anethole
CID 637563
4-Methoxyphenol
CID 9015
1,3,5-Trimethoxybenzene
CID 69301
Diphenyl Ether
CID 7583
Anisole
CID 7519
Phenyl acetate
CID 31229
Veratrole
CID 7043
4-Methylanisole
CID 7731
4-Phenoxyphenol
CID 13254
4-Ethoxyphenol
CID 12150
cis-Anethole
CID 1549040
Phenetole
CID 7674

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxybenzene?
The IUPAC name of 1,4-dimethoxybenzene (CID 9016) is 1,4-dimethoxybenzene.
What is the SMILES notation for 1,4-dimethoxybenzene?
The canonical SMILES for 1,4-dimethoxybenzene is COc1ccc(OC)cc1.
What is the InChIKey of 1,4-dimethoxybenzene?
The InChIKey is OHBQPCCCRFSCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3.
What are the key properties of 1,4-dimethoxybenzene?
1,4-dimethoxybenzene has a molecular weight of 138.17 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxybenzene is sourced from PubChem (CID 9016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).