1-methoxy-3-(2-methoxyhexyl)benzene

C14H22O2 — CID 122208727

IUPAC1-methoxy-3-(2-methoxyhexyl)benzene
SMILESCCCCC(Cc1cccc(OC)c1)OC
InChIInChI=1S/C14H22O2/c1-4-5-8-13(15-2)10-12-7-6-9-14(11-12)16-3/h6-7,9,11,13H,4-5,8,10H2,1-3H3
InChIKeyVQEPKNIBKRPOPD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.44
Rot. Bonds7

About 1-methoxy-3-(2-methoxyhexyl)benzene

1-methoxy-3-(2-methoxyhexyl)benzene (PubChem CID 122208727) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxyhexyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxyhexyl)benzene
PubChem CID122208727
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-methoxy-3-(2-methoxyhexyl)benzene
SMILESCCCCC(Cc1cccc(OC)c1)OC
InChIInChI=1S/C14H22O2/c1-4-5-8-13(15-2)10-12-7-6-9-14(11-12)16-3/h6-7,9,11,13H,4-5,8,10H2,1-3H3
InChIKeyVQEPKNIBKRPOPD-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-chloro-2-(3-methoxyphenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxyhexyl)benzene?
The IUPAC name of 1-methoxy-3-(2-methoxyhexyl)benzene (CID 122208727) is 1-methoxy-3-(2-methoxyhexyl)benzene.
What is the SMILES notation for 1-methoxy-3-(2-methoxyhexyl)benzene?
The canonical SMILES for 1-methoxy-3-(2-methoxyhexyl)benzene is CCCCC(Cc1cccc(OC)c1)OC.
What is the InChIKey of 1-methoxy-3-(2-methoxyhexyl)benzene?
The InChIKey is VQEPKNIBKRPOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-8-13(15-2)10-12-7-6-9-14(11-12)16-3/h6-7,9,11,13H,4-5,8,10H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-methoxyhexyl)benzene?
1-methoxy-3-(2-methoxyhexyl)benzene has a molecular weight of 222.33 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxyhexyl)benzene is sourced from PubChem (CID 122208727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).