1,2-dimethoxy-4-pentan-2-ylbenzene

C13H20O2 — CID 67564949

IUPAC1,2-dimethoxy-4-pentan-2-ylbenzene
SMILESCCCC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20O2/c1-5-6-10(2)11-7-8-12(14-3)13(9-11)15-4/h7-10H,5-6H2,1-4H3
InChIKeySQJVSASQCOLLAZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.61
Rot. Bonds5

About 1,2-dimethoxy-4-pentan-2-ylbenzene

1,2-dimethoxy-4-pentan-2-ylbenzene (PubChem CID 67564949) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,2-dimethoxy-4-pentan-2-ylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-pentan-2-ylbenzene
PubChem CID67564949
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,2-dimethoxy-4-pentan-2-ylbenzene
SMILESCCCC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20O2/c1-5-6-10(2)11-7-8-12(14-3)13(9-11)15-4/h7-10H,5-6H2,1-4H3
InChIKeySQJVSASQCOLLAZ-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
2-methoxy-4-pentan-2-yl-1-(1-phenylethoxy)benzene
CID 144703665
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
5-amino-2-(3,4-dimethoxyphenyl)octan-4-ol
CID 83928886
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
CID 83928870

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-pentan-2-ylbenzene?
The IUPAC name of 1,2-dimethoxy-4-pentan-2-ylbenzene (CID 67564949) is 1,2-dimethoxy-4-pentan-2-ylbenzene.
What is the SMILES notation for 1,2-dimethoxy-4-pentan-2-ylbenzene?
The canonical SMILES for 1,2-dimethoxy-4-pentan-2-ylbenzene is CCCC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-pentan-2-ylbenzene?
The InChIKey is SQJVSASQCOLLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-6-10(2)11-7-8-12(14-3)13(9-11)15-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,2-dimethoxy-4-pentan-2-ylbenzene?
1,2-dimethoxy-4-pentan-2-ylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-pentan-2-ylbenzene is sourced from PubChem (CID 67564949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).