2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene

C109H132O17 — CID 161463871

IUPAC2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene
SMILESCOc1cc(C)ccc1C.COc1ccc(C)c(C)c1.COc1ccc(C)cc1C(c1cc(C)ccc1OC)c1cc(C)ccc1OC.COc1ccc(C)cc1Cc1cc(C)ccc1OC.COc1ccc(OC)c(-c2cc(C)ccc2OC)c1.COc1ccc(OC)cc1.COc1ccc(OC)cc1.COc1ccc(OC)cc1.COc1cccc(C)c1C
InChIInChI=1S/C25H28O3.C17H20O2.C16H18O3.3C9H12O.3C8H10O2/c1-16-7-10-22(26-4)19(13-16)25(20-14-17(2)8-11-23(20)27-5)21-15-18(3)9-12-24(21)28-6;1-12-5-7-16(18-3)14(9-12)11-15-10-13(2)6-8-17(15)19-4;1-11-5-7-15(18-3)13(9-11)14-10-12(17-2)6-8-16(14)19-4;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(6-7)10-3;1-7-5-4-6-9(10-3)8(7)2;3*1-9-7-3-5-8(10-2)6-4-7/h7-15,25H,1-6H3;5-10H,11H2,1-4H3;5-10H,1-4H3;3*4-6H,1-3H3;3*3-6H,1-2H3
InChIKeyWCEAXCIEXIRDHX-UHFFFAOYSA-N
MW1714.24 g/mol
LogP25.46
Rot. Bonds23

About 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene

2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene (PubChem CID 161463871) has the molecular formula C109H132O17 and a molecular weight of 1714.24 g/mol. Its IUPAC name is 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene
PubChem CID161463871
Molecular FormulaC109H132O17
Molecular Weight1714.24 g/mol
Exact Mass1712.95
IUPAC Name2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene
SMILESCOc1cc(C)ccc1C.COc1ccc(C)c(C)c1.COc1ccc(C)cc1C(c1cc(C)ccc1OC)c1cc(C)ccc1OC.COc1ccc(C)cc1Cc1cc(C)ccc1OC.COc1ccc(OC)c(-c2cc(C)ccc2OC)c1.COc1ccc(OC)cc1.COc1ccc(OC)cc1.COc1ccc(OC)cc1.COc1cccc(C)c1C
InChIInChI=1S/C25H28O3.C17H20O2.C16H18O3.3C9H12O.3C8H10O2/c1-16-7-10-22(26-4)19(13-16)25(20-14-17(2)8-11-23(20)27-5)21-15-18(3)9-12-24(21)28-6;1-12-5-7-16(18-3)14(9-12)11-15-10-13(2)6-8-17(15)19-4;1-11-5-7-15(18-3)13(9-11)14-10-12(17-2)6-8-16(14)19-4;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(6-7)10-3;1-7-5-4-6-9(10-3)8(7)2;3*1-9-7-3-5-8(10-2)6-4-7/h7-15,25H,1-6H3;5-10H,11H2,1-4H3;5-10H,1-4H3;3*4-6H,1-3H3;3*3-6H,1-2H3
InChIKeyWCEAXCIEXIRDHX-UHFFFAOYSA-N
XLogP25.46
TPSA156.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.24
LogP ≤ 525.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene with MolForge

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Related Compounds

2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
2-(2,3-dimethylphenoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43101312
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 62537711
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 158671068
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene?
The IUPAC name of 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene (CID 161463871) is 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene is COc1cc(C)ccc1C.COc1ccc(C)c(C)c1.COc1ccc(C)cc1C(c1cc(C)ccc1OC)c1cc(C)ccc1OC.COc1ccc(C)cc1Cc1cc(C)ccc1OC.COc1ccc(OC)c(-c2cc(C)ccc2OC)c1.COc1ccc(OC)cc1.COc1ccc(OC)cc1.COc1ccc(OC)cc1.COc1cccc(C)c1C.
What is the InChIKey of 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene?
The InChIKey is WCEAXCIEXIRDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3.C17H20O2.C16H18O3.3C9H12O.3C8H10O2/c1-16-7-10-22(26-4)19(13-16)25(20-14-17(2)8-11-23(20)27-5)21-15-18(3)9-12-24(21)28-6;1-12-5-7-16(18-3)14(9-12)11-15-10-13(2)6-8-17(15)19-4;1-11-5-7-15(18-3)13(9-11)14-10-12(17-2)6-8-16(14)19-4;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(6-7)10-3;1-7-5-4-6-9(10-3)8(7)2;3*1-9-7-3-5-8(10-2)6-4-7/h7-15,25H,1-6H3;5-10H,11H2,1-4H3;5-10H,1-4H3;3*4-6H,1-3H3;3*3-6H,1-2H3.
What are the key properties of 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene?
2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene has a molecular weight of 1714.24 g/mol, XLogP of 25.46, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxy-5-methylphenyl)methyl]-1-methoxy-4-methylbenzene;tris(1,4-dimethoxybenzene);1,4-dimethoxy-2-(2-methoxy-5-methylphenyl)benzene;1-methoxy-2,3-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 161463871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).