ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene

C21H32O2 — CID 91290457

IUPACethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
SMILESCC.CC.COc1ccccc1CCCc1ccccc1OC
InChIInChI=1S/C17H20O2.2C2H6/c1-18-16-12-5-3-8-14(16)10-7-11-15-9-4-6-13-17(15)19-2;2*1-2/h3-6,8-9,12-13H,7,10-11H2,1-2H3;2*1-2H3
InChIKeyDJYVOHQDZMGVIN-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.93
Rot. Bonds6

About ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene

ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene (PubChem CID 91290457) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene.

Molecular Properties

Compound Nameethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
PubChem CID91290457
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Nameethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
SMILESCC.CC.COc1ccccc1CCCc1ccccc1OC
InChIInChI=1S/C17H20O2.2C2H6/c1-18-16-12-5-3-8-14(16)10-7-11-15-9-4-6-13-17(15)19-2;2*1-2/h3-6,8-9,12-13H,7,10-11H2,1-2H3;2*1-2H3
InChIKeyDJYVOHQDZMGVIN-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene?
The IUPAC name of ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene (CID 91290457) is ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene.
What is the SMILES notation for ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene?
The canonical SMILES for ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene is CC.CC.COc1ccccc1CCCc1ccccc1OC.
What is the InChIKey of ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene?
The InChIKey is DJYVOHQDZMGVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.2C2H6/c1-18-16-12-5-3-8-14(16)10-7-11-15-9-4-6-13-17(15)19-2;2*1-2/h3-6,8-9,12-13H,7,10-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene?
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene has a molecular weight of 316.49 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene is sourced from PubChem (CID 91290457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).