2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene

C31H48O2 — CID 20724703

IUPAC2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cc(C(C)c2cccc(C(C)(C)CC)c2OC)c(OC)c(C(C)(C)CC)c1
InChIInChI=1S/C31H48O2/c1-13-29(5,6)22-19-24(28(33-12)26(20-22)31(9,10)15-3)21(4)23-17-16-18-25(27(23)32-11)30(7,8)14-2/h16-21H,13-15H2,1-12H3
InChIKeyYROJDTCLOICPHN-UHFFFAOYSA-N
MW452.72 g/mol
LogP8.92
Rot. Bonds10

About 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene

2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene (PubChem CID 20724703) has the molecular formula C31H48O2 and a molecular weight of 452.72 g/mol. Its IUPAC name is 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene
PubChem CID20724703
Molecular FormulaC31H48O2
Molecular Weight452.72 g/mol
Exact Mass452.37
IUPAC Name2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cc(C(C)c2cccc(C(C)(C)CC)c2OC)c(OC)c(C(C)(C)CC)c1
InChIInChI=1S/C31H48O2/c1-13-29(5,6)22-19-24(28(33-12)26(20-22)31(9,10)15-3)21(4)23-17-16-18-25(27(23)32-11)30(7,8)14-2/h16-21H,13-15H2,1-12H3
InChIKeyYROJDTCLOICPHN-UHFFFAOYSA-N
XLogP8.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.72
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene?
The IUPAC name of 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene (CID 20724703) is 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene?
The canonical SMILES for 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene is CCC(C)(C)c1cc(C(C)c2cccc(C(C)(C)CC)c2OC)c(OC)c(C(C)(C)CC)c1.
What is the InChIKey of 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene?
The InChIKey is YROJDTCLOICPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O2/c1-13-29(5,6)22-19-24(28(33-12)26(20-22)31(9,10)15-3)21(4)23-17-16-18-25(27(23)32-11)30(7,8)14-2/h16-21H,13-15H2,1-12H3.
What are the key properties of 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene?
2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene has a molecular weight of 452.72 g/mol, XLogP of 8.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1-[2-methoxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-3,5-bis(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 20724703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).