2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene

C34H38O — CID 69390077

IUPAC2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene
SMILESCc1cc(C(OC(c2ccccc2)c2ccc(C(C)C)c(C)c2)c2ccccc2)ccc1C(C)C
InChIInChI=1S/C34H38O/c1-23(2)31-19-17-29(21-25(31)5)33(27-13-9-7-10-14-27)35-34(28-15-11-8-12-16-28)30-18-20-32(24(3)4)26(6)22-30/h7-24,33-34H,1-6H3
InChIKeyLENZPMIVWRDMJE-UHFFFAOYSA-N
MW462.68 g/mol
LogP9.45
Rot. Bonds8

About 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene

2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene (PubChem CID 69390077) has the molecular formula C34H38O and a molecular weight of 462.68 g/mol. Its IUPAC name is 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene
PubChem CID69390077
Molecular FormulaC34H38O
Molecular Weight462.68 g/mol
Exact Mass462.29
IUPAC Name2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene
SMILESCc1cc(C(OC(c2ccccc2)c2ccc(C(C)C)c(C)c2)c2ccccc2)ccc1C(C)C
InChIInChI=1S/C34H38O/c1-23(2)31-19-17-29(21-25(31)5)33(27-13-9-7-10-14-27)35-34(28-15-11-8-12-16-28)30-18-20-32(24(3)4)26(6)22-30/h7-24,33-34H,1-6H3
InChIKeyLENZPMIVWRDMJE-UHFFFAOYSA-N
XLogP9.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene?
The IUPAC name of 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene (CID 69390077) is 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene.
What is the SMILES notation for 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene?
The canonical SMILES for 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene is Cc1cc(C(OC(c2ccccc2)c2ccc(C(C)C)c(C)c2)c2ccccc2)ccc1C(C)C.
What is the InChIKey of 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene?
The InChIKey is LENZPMIVWRDMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O/c1-23(2)31-19-17-29(21-25(31)5)33(27-13-9-7-10-14-27)35-34(28-15-11-8-12-16-28)30-18-20-32(24(3)4)26(6)22-30/h7-24,33-34H,1-6H3.
What are the key properties of 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene?
2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene has a molecular weight of 462.68 g/mol, XLogP of 9.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene is sourced from PubChem (CID 69390077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).