1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene

C30H30O — CID 70372863

IUPAC1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(-c2c(C)cccc2Oc2cccc(C)c2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C30H30O/c1-19-13-20(2)16-25(15-19)29-23(5)9-7-11-27(29)31-28-12-8-10-24(6)30(28)26-17-21(3)14-22(4)18-26/h7-18H,1-6H3
InChIKeyNALCEVXJEBCWEV-UHFFFAOYSA-N
MW406.57 g/mol
LogP8.66
Rot. Bonds4

About 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene

1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene (PubChem CID 70372863) has the molecular formula C30H30O and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene
PubChem CID70372863
Molecular FormulaC30H30O
Molecular Weight406.57 g/mol
Exact Mass406.23
IUPAC Name1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(-c2c(C)cccc2Oc2cccc(C)c2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C30H30O/c1-19-13-20(2)16-25(15-19)29-23(5)9-7-11-27(29)31-28-12-8-10-24(6)30(28)26-17-21(3)14-22(4)18-26/h7-18H,1-6H3
InChIKeyNALCEVXJEBCWEV-UHFFFAOYSA-N
XLogP8.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene (CID 70372863) is 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene is Cc1cc(C)cc(-c2c(C)cccc2Oc2cccc(C)c2-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene?
The InChIKey is NALCEVXJEBCWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O/c1-19-13-20(2)16-25(15-19)29-23(5)9-7-11-27(29)31-28-12-8-10-24(6)30(28)26-17-21(3)14-22(4)18-26/h7-18H,1-6H3.
What are the key properties of 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene?
1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene has a molecular weight of 406.57 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-dimethylphenyl)-3-methylphenoxy]-6-methylphenyl]-3,5-dimethylbenzene is sourced from PubChem (CID 70372863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).