2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene

C29H30O3 — CID 21365415

IUPAC2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene
SMILESC=COc1ccc(C(c2cc(C)c(OC=C)c(C)c2)c2cc(C)c(OC=C)c(C)c2)cc1
InChIInChI=1S/C29H30O3/c1-8-30-26-13-11-23(12-14-26)27(24-15-19(4)28(31-9-2)20(5)16-24)25-17-21(6)29(32-10-3)22(7)18-25/h8-18,27H,1-3H2,4-7H3
InChIKeyDFGITJXXVNUNNA-UHFFFAOYSA-N
MW426.56 g/mol
LogP7.67
Rot. Bonds9

About 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene

2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene (PubChem CID 21365415) has the molecular formula C29H30O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene
PubChem CID21365415
Molecular FormulaC29H30O3
Molecular Weight426.56 g/mol
Exact Mass426.22
IUPAC Name2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene
SMILESC=COc1ccc(C(c2cc(C)c(OC=C)c(C)c2)c2cc(C)c(OC=C)c(C)c2)cc1
InChIInChI=1S/C29H30O3/c1-8-30-26-13-11-23(12-14-26)27(24-15-19(4)28(31-9-2)20(5)16-24)25-17-21(6)29(32-10-3)22(7)18-25/h8-18,27H,1-3H2,4-7H3
InChIKeyDFGITJXXVNUNNA-UHFFFAOYSA-N
XLogP7.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-[bis(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]phenyl]-(3,5-dimethyl-4-prop-2-enoyloxyphenyl)methyl]-2,6-dimethylphenyl] prop-2-enoate
CID 163521211
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
1-[[4-[bis(4-ethenoxy-2,5-dimethylphenyl)methyl]phenyl]-(4-ethenoxy-2,5-dimethylphenyl)methyl]-4-ethenoxy-2,5-dimethylbenzene
CID 21365402
5-[(3,5-dimethyl-4-prop-2-ynoxyphenyl)-(4-methylphenyl)methyl]-1,3-dimethyl-2-prop-2-ynoxybenzene
CID 146424169
4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline
CID 146638185
4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde
CID 44551381
1,3,4-trimethyl-2-prop-2-enoxy-5-[(4-prop-2-enoxyphenyl)-(2,3,5-trimethyl-4-prop-2-enoxyphenyl)methyl]benzene
CID 171421206
1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene
CID 59749663
[4-[(4-hydroxy-3,5-dimethylphenyl)-phenylmethyl]-2,6-dimethylphenyl] prop-2-enoate
CID 118402998
CID 149349265
CID 149349265
1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene
CID 18739276
1-benzyl-4-ethenoxybenzene
CID 21364304

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene?
The IUPAC name of 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene (CID 21365415) is 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene is C=COc1ccc(C(c2cc(C)c(OC=C)c(C)c2)c2cc(C)c(OC=C)c(C)c2)cc1.
What is the InChIKey of 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene?
The InChIKey is DFGITJXXVNUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O3/c1-8-30-26-13-11-23(12-14-26)27(24-15-19(4)28(31-9-2)20(5)16-24)25-17-21(6)29(32-10-3)22(7)18-25/h8-18,27H,1-3H2,4-7H3.
What are the key properties of 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene?
2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene has a molecular weight of 426.56 g/mol, XLogP of 7.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-5-[(4-ethenoxy-3,5-dimethylphenyl)-(4-ethenoxyphenyl)methyl]-1,3-dimethylbenzene is sourced from PubChem (CID 21365415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).