2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene

C31H32O2 — CID 57143935

IUPAC2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
SMILESCOc1cccc(OCc2ccccc2)c1CC(C)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C31H32O2/c1-23-13-17-26(18-14-23)31(3,27-19-15-24(2)16-20-27)21-28-29(32-4)11-8-12-30(28)33-22-25-9-6-5-7-10-25/h5-20H,21-22H2,1-4H3
InChIKeyJHLFUUFRRCDOGN-UHFFFAOYSA-N
MW436.60 g/mol
LogP7.44
Rot. Bonds8

About 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene

2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene (PubChem CID 57143935) has the molecular formula C31H32O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene.

Molecular Properties

Compound Name2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
PubChem CID57143935
Molecular FormulaC31H32O2
Molecular Weight436.60 g/mol
Exact Mass436.24
IUPAC Name2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
SMILESCOc1cccc(OCc2ccccc2)c1CC(C)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C31H32O2/c1-23-13-17-26(18-14-23)31(3,27-19-15-24(2)16-20-27)21-28-29(32-4)11-8-12-30(28)33-22-25-9-6-5-7-10-25/h5-20H,21-22H2,1-4H3
InChIKeyJHLFUUFRRCDOGN-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene?
The IUPAC name of 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene (CID 57143935) is 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene.
What is the SMILES notation for 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene?
The canonical SMILES for 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene is COc1cccc(OCc2ccccc2)c1CC(C)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene?
The InChIKey is JHLFUUFRRCDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2/c1-23-13-17-26(18-14-23)31(3,27-19-15-24(2)16-20-27)21-28-29(32-4)11-8-12-30(28)33-22-25-9-6-5-7-10-25/h5-20H,21-22H2,1-4H3.
What are the key properties of 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene?
2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene has a molecular weight of 436.60 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene is sourced from PubChem (CID 57143935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).