2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene

C53H58O4 — CID 130186695

IUPAC2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene
SMILESC=Cc1ccc(COc2c(C)cc(Oc3c(C)cc(C(C)(C)c4cc(C)c(Oc5cc(C)c(OCc6ccc(CC)cc6)c(C)c5)c(C)c4)cc3C)cc2C)cc1
InChIInChI=1S/C53H58O4/c1-13-41-15-19-43(20-16-41)31-54-49-37(7)27-47(28-38(49)8)56-51-33(3)23-45(24-34(51)4)53(11,12)46-25-35(5)52(36(6)26-46)57-48-29-39(9)50(40(10)30-48)55-32-44-21-17-42(14-2)18-22-44/h13,15-30H,1,14,31-32H2,2-12H3
InChIKeyJYLADGUNKRUTKS-UHFFFAOYSA-N
MW759.04 g/mol
LogP14.43
Rot. Bonds14

About 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene

2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene (PubChem CID 130186695) has the molecular formula C53H58O4 and a molecular weight of 759.04 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene
PubChem CID130186695
Molecular FormulaC53H58O4
Molecular Weight759.04 g/mol
Exact Mass758.43
IUPAC Name2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene
SMILESC=Cc1ccc(COc2c(C)cc(Oc3c(C)cc(C(C)(C)c4cc(C)c(Oc5cc(C)c(OCc6ccc(CC)cc6)c(C)c5)c(C)c4)cc3C)cc2C)cc1
InChIInChI=1S/C53H58O4/c1-13-41-15-19-43(20-16-41)31-54-49-37(7)27-47(28-38(49)8)56-51-33(3)23-45(24-34(51)4)53(11,12)46-25-35(5)52(36(6)26-46)57-48-29-39(9)50(40(10)30-48)55-32-44-21-17-42(14-2)18-22-44/h13,15-30H,1,14,31-32H2,2-12H3
InChIKeyJYLADGUNKRUTKS-UHFFFAOYSA-N
XLogP14.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.04
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene with MolForge

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Related Compounds

1-(chloromethyl)-4-ethenylbenzene;5-(2,6-dimethylphenoxy)-2-[4-[(4-ethenylphenyl)methoxy]-3,5-dimethylphenoxy]-1,3-dimethylbenzene
CID 159020818
1-tert-butyl-2-[(4-ethenylphenyl)methoxy]-3-methyl-5-[1,2,2-tris[3-tert-butyl-4-[(4-ethenylphenyl)methoxy]-5-methylphenyl]ethyl]benzene
CID 171473026
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
ethane;2-methoxy-5-[4-[2-[4-(4-methoxy-3,5-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,3-dimethylbenzene;styrene
CID 157277221
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
1,2,3,4,5-pentachloro-6-[(4-ethenylphenyl)methoxy]benzene
CID 14232060
4-[4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]phenol
CID 58792408
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863
4,5,6-tris[(4-ethenylphenyl)methoxy]triazine
CID 171473025
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene (CID 130186695) is 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene is C=Cc1ccc(COc2c(C)cc(Oc3c(C)cc(C(C)(C)c4cc(C)c(Oc5cc(C)c(OCc6ccc(CC)cc6)c(C)c5)c(C)c4)cc3C)cc2C)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene?
The InChIKey is JYLADGUNKRUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H58O4/c1-13-41-15-19-43(20-16-41)31-54-49-37(7)27-47(28-38(49)8)56-51-33(3)23-45(24-34(51)4)53(11,12)46-25-35(5)52(36(6)26-46)57-48-29-39(9)50(40(10)30-48)55-32-44-21-17-42(14-2)18-22-44/h13,15-30H,1,14,31-32H2,2-12H3.
What are the key properties of 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene?
2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene has a molecular weight of 759.04 g/mol, XLogP of 14.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methoxy]-5-[4-[2-[4-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 130186695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).