methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene

C49H56O — CID 158398954

IUPACmethane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene
SMILESC.Cc1ccc(C2C(C)c3cc(C)ccc3C2(C)C)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C20H24.C14H14O.C14H14.CH4/c1-13-6-9-16(10-7-13)19-15(3)17-12-14(2)8-11-18(17)20(19,4)5;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;/h6-12,15,19H,1-5H3;3-10H,1-2H3;3-10H,1-2H3;1H4
InChIKeyGXWDLRYXMJYVPX-UHFFFAOYSA-N
MW660.99 g/mol
LogP14.18
Rot. Bonds4

About methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene

methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene (PubChem CID 158398954) has the molecular formula C49H56O and a molecular weight of 660.99 g/mol. Its IUPAC name is methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene.

Molecular Properties

Compound Namemethane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene
PubChem CID158398954
Molecular FormulaC49H56O
Molecular Weight660.99 g/mol
Exact Mass660.43
IUPAC Namemethane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene
SMILESC.Cc1ccc(C2C(C)c3cc(C)ccc3C2(C)C)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C20H24.C14H14O.C14H14.CH4/c1-13-6-9-16(10-7-13)19-15(3)17-12-14(2)8-11-18(17)20(19,4)5;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;/h6-12,15,19H,1-5H3;3-10H,1-2H3;3-10H,1-2H3;1H4
InChIKeyGXWDLRYXMJYVPX-UHFFFAOYSA-N
XLogP14.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.99
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene?
The IUPAC name of methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene (CID 158398954) is methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene.
What is the SMILES notation for methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene?
The canonical SMILES for methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene is C.Cc1ccc(C2C(C)c3cc(C)ccc3C2(C)C)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene?
The InChIKey is GXWDLRYXMJYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24.C14H14O.C14H14.CH4/c1-13-6-9-16(10-7-13)19-15(3)17-12-14(2)8-11-18(17)20(19,4)5;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;/h6-12,15,19H,1-5H3;3-10H,1-2H3;3-10H,1-2H3;1H4.
What are the key properties of methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene?
methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene has a molecular weight of 660.99 g/mol, XLogP of 14.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)benzene;1,3,3,6-tetramethyl-2-(4-methylphenyl)-1,2-dihydroindene is sourced from PubChem (CID 158398954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).