1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene

C37H44O2 — CID 161130846

IUPAC1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene
SMILESCc1ccc(Oc2c(C)c(C)c(Cc3c(C)c(C)c(Oc4ccc(C)c(C)c4)c(C)c3C)c(C)c2C)cc1C
InChIInChI=1S/C37H44O2/c1-20-13-15-32(17-22(20)3)38-36-28(9)24(5)34(25(6)29(36)10)19-35-26(7)30(11)37(31(12)27(35)8)39-33-16-14-21(2)23(4)18-33/h13-18H,19H2,1-12H3
InChIKeyMQHZOTOOESGGGY-UHFFFAOYSA-N
MW520.76 g/mol
LogP10.56
Rot. Bonds6

About 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene

1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene (PubChem CID 161130846) has the molecular formula C37H44O2 and a molecular weight of 520.76 g/mol. Its IUPAC name is 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene
PubChem CID161130846
Molecular FormulaC37H44O2
Molecular Weight520.76 g/mol
Exact Mass520.33
IUPAC Name1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene
SMILESCc1ccc(Oc2c(C)c(C)c(Cc3c(C)c(C)c(Oc4ccc(C)c(C)c4)c(C)c3C)c(C)c2C)cc1C
InChIInChI=1S/C37H44O2/c1-20-13-15-32(17-22(20)3)38-36-28(9)24(5)34(25(6)29(36)10)19-35-26(7)30(11)37(31(12)27(35)8)39-33-16-14-21(2)23(4)18-33/h13-18H,19H2,1-12H3
InChIKeyMQHZOTOOESGGGY-UHFFFAOYSA-N
XLogP10.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.76
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
5-(bromomethyl)-2-(3,4-dimethylphenoxy)-1,3-difluorobenzene
CID 107086989
4-[2-[[2-(4-aminophenoxy)-3,5,6-trimethylphenyl]methyl]-3,4,6-trimethylphenoxy]aniline
CID 22141605
CID 59952153
CID 59952153
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene
CID 139562283
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
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
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene (CID 161130846) is 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene is Cc1ccc(Oc2c(C)c(C)c(Cc3c(C)c(C)c(Oc4ccc(C)c(C)c4)c(C)c3C)c(C)c2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene?
The InChIKey is MQHZOTOOESGGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44O2/c1-20-13-15-32(17-22(20)3)38-36-28(9)24(5)34(25(6)29(36)10)19-35-26(7)30(11)37(31(12)27(35)8)39-33-16-14-21(2)23(4)18-33/h13-18H,19H2,1-12H3.
What are the key properties of 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene?
1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene has a molecular weight of 520.76 g/mol, XLogP of 10.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 161130846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).