1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene

C18H22O2 — CID 12861418

IUPAC1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
SMILESCOc1cccc(C(C)C(C)c2cccc(OC)c2)c1
InChIInChI=1S/C18H22O2/c1-13(15-7-5-9-17(11-15)19-3)14(2)16-8-6-10-18(12-16)20-4/h5-14H,1-4H3
InChIKeyQXOFQXUSGCQGBG-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.61
Rot. Bonds5

About 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene

1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene (PubChem CID 12861418) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
PubChem CID12861418
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
SMILESCOc1cccc(C(C)C(C)c2cccc(OC)c2)c1
InChIInChI=1S/C18H22O2/c1-13(15-7-5-9-17(11-15)19-3)14(2)16-8-6-10-18(12-16)20-4/h5-14H,1-4H3
InChIKeyQXOFQXUSGCQGBG-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylbutan-1-amine
CID 142658972
1-(3-bromohexan-2-yl)-3-methoxybenzene
CID 83051986
2-(3-methoxyphenyl)propane-1-thiol
CID 20523012
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
azane;1-but-3-en-2-yl-3-methoxybenzene
CID 143849691

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene?
The IUPAC name of 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene (CID 12861418) is 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene.
What is the SMILES notation for 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene?
The canonical SMILES for 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene is COc1cccc(C(C)C(C)c2cccc(OC)c2)c1.
What is the InChIKey of 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene?
The InChIKey is QXOFQXUSGCQGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(15-7-5-9-17(11-15)19-3)14(2)16-8-6-10-18(12-16)20-4/h5-14H,1-4H3.
What are the key properties of 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene?
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene has a molecular weight of 270.37 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene is sourced from PubChem (CID 12861418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).