1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene

C35H40O — CID 170268037

IUPAC1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene
SMILESCc1ccc(Oc2ccc(C)c(CCc3ccc(C(C)(C)c4ccc(C)c(C)c4)cc3C)c2)cc1C
InChIInChI=1S/C35H40O/c1-23-9-15-31(19-26(23)4)35(7,8)32-16-14-29(28(6)20-32)12-13-30-22-34(18-11-25(30)3)36-33-17-10-24(2)27(5)21-33/h9-11,14-22H,12-13H2,1-8H3
InChIKeyGXDCZKXVSSOKBC-UHFFFAOYSA-N
MW476.70 g/mol
LogP9.44
Rot. Bonds7

About 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene

1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene (PubChem CID 170268037) has the molecular formula C35H40O and a molecular weight of 476.70 g/mol. Its IUPAC name is 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene
PubChem CID170268037
Molecular FormulaC35H40O
Molecular Weight476.70 g/mol
Exact Mass476.31
IUPAC Name1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene
SMILESCc1ccc(Oc2ccc(C)c(CCc3ccc(C(C)(C)c4ccc(C)c(C)c4)cc3C)c2)cc1C
InChIInChI=1S/C35H40O/c1-23-9-15-31(19-26(23)4)35(7,8)32-16-14-29(28(6)20-32)12-13-30-22-34(18-11-25(30)3)36-33-17-10-24(2)27(5)21-33/h9-11,14-22H,12-13H2,1-8H3
InChIKeyGXDCZKXVSSOKBC-UHFFFAOYSA-N
XLogP9.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene with MolForge

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Related Compounds

4-(3,4-dimethylphenoxy)-1-[2-[4-[2-[4-[2-[4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylphenyl]ethyl]-3-methylphenyl]propan-2-yl]-2-methylphenyl]ethyl]-2-methylbenzene
CID 123849934
1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997847
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997714
1-ethyl-2-methyl-4-[4-[2-[4-(4-methyl-3-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 121313085
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate
CID 143099401
1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane
CID 142986183
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
4-[4-[2-[4-(3,4-dimethylphenoxy)cyclohexa-1,3-dien-1-yl]propan-2-yl]phenoxy]-1,2-dimethylbenzene
CID 71188540
4-tert-butyl-1-[4-(chloromethyl)-3-methylphenoxy]-2-methylbenzene
CID 63567670
4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
CID 159088211

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene?
The IUPAC name of 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene (CID 170268037) is 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene?
The canonical SMILES for 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene is Cc1ccc(Oc2ccc(C)c(CCc3ccc(C(C)(C)c4ccc(C)c(C)c4)cc3C)c2)cc1C.
What is the InChIKey of 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene?
The InChIKey is GXDCZKXVSSOKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O/c1-23-9-15-31(19-26(23)4)35(7,8)32-16-14-29(28(6)20-32)12-13-30-22-34(18-11-25(30)3)36-33-17-10-24(2)27(5)21-33/h9-11,14-22H,12-13H2,1-8H3.
What are the key properties of 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene?
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene has a molecular weight of 476.70 g/mol, XLogP of 9.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene is sourced from PubChem (CID 170268037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).