1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene

C15H24O2 — CID 86103111

IUPAC1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene
SMILESCOc1ccc(CC(C)OCCC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-12(2)9-10-17-13(3)11-14-5-7-15(16-4)8-6-14/h5-8,12-13H,9-11H2,1-4H3
InChIKeyUGEYFRGUIZPACO-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds7

About 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene

1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene (PubChem CID 86103111) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene
PubChem CID86103111
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene
SMILESCOc1ccc(CC(C)OCCC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-12(2)9-10-17-13(3)11-14-5-7-15(16-4)8-6-14/h5-8,12-13H,9-11H2,1-4H3
InChIKeyUGEYFRGUIZPACO-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene
CID 142022793
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
CID 61066425
3-methylbutyl 2-(4-methoxyphenyl)acetate
CID 15721358
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene?
The IUPAC name of 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene (CID 86103111) is 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene is COc1ccc(CC(C)OCCC(C)C)cc1.
What is the InChIKey of 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene?
The InChIKey is UGEYFRGUIZPACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)9-10-17-13(3)11-14-5-7-15(16-4)8-6-14/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene?
1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene has a molecular weight of 236.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene is sourced from PubChem (CID 86103111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).