2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene

C40H34O4 — CID 139562283

IUPAC2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene
SMILESCc1ccc(Oc2ccc(Oc3ccccc3)c(Cc3c(Oc4ccccc4)ccc(Oc4ccccc4)c3C)c2)cc1C
InChIInChI=1S/C40H34O4/c1-28-19-20-35(25-29(28)2)41-36-21-22-39(43-33-15-9-5-10-16-33)31(26-36)27-37-30(3)38(42-32-13-7-4-8-14-32)23-24-40(37)44-34-17-11-6-12-18-34/h4-26H,27H2,1-3H3
InChIKeySEVYTFRTROEXQL-UHFFFAOYSA-N
MW578.71 g/mol
LogP11.37
Rot. Bonds10

About 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene

2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene (PubChem CID 139562283) has the molecular formula C40H34O4 and a molecular weight of 578.71 g/mol. Its IUPAC name is 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene.

Molecular Properties

Compound Name2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene
PubChem CID139562283
Molecular FormulaC40H34O4
Molecular Weight578.71 g/mol
Exact Mass578.25
IUPAC Name2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene
SMILESCc1ccc(Oc2ccc(Oc3ccccc3)c(Cc3c(Oc4ccccc4)ccc(Oc4ccccc4)c3C)c2)cc1C
InChIInChI=1S/C40H34O4/c1-28-19-20-35(25-29(28)2)41-36-21-22-39(43-33-15-9-5-10-16-33)31(26-36)27-37-30(3)38(42-32-13-7-4-8-14-32)23-24-40(37)44-34-17-11-6-12-18-34/h4-26H,27H2,1-3H3
InChIKeySEVYTFRTROEXQL-UHFFFAOYSA-N
XLogP11.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149
1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane
CID 142986183
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
4-(3,4-dimethylphenoxy)-2,3-dimethylpyridine
CID 126502678
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 100550322
1-(3,4-dimethylphenoxy)-4-[[4-(3,4-dimethylphenoxy)-2,3,5,6-tetramethylphenyl]methyl]-2,3,5,6-tetramethylbenzene
CID 161130846
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997714
1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene
CID 145094302
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
2-methyl-4-phenoxyphenol
CID 23089676

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene?
The IUPAC name of 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene (CID 139562283) is 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene.
What is the SMILES notation for 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene?
The canonical SMILES for 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene is Cc1ccc(Oc2ccc(Oc3ccccc3)c(Cc3c(Oc4ccccc4)ccc(Oc4ccccc4)c3C)c2)cc1C.
What is the InChIKey of 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene?
The InChIKey is SEVYTFRTROEXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O4/c1-28-19-20-35(25-29(28)2)41-36-21-22-39(43-33-15-9-5-10-16-33)31(26-36)27-37-30(3)38(42-32-13-7-4-8-14-32)23-24-40(37)44-34-17-11-6-12-18-34/h4-26H,27H2,1-3H3.
What are the key properties of 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene?
2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene has a molecular weight of 578.71 g/mol, XLogP of 11.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene is sourced from PubChem (CID 139562283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).