2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene

C30H34O4 — CID 101431014

IUPAC2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene
SMILESC=Cc1cc(OCc2ccccc2COc2ccc(OC(C)C)c(C=C)c2)ccc1OC(C)C
InChIInChI=1S/C30H34O4/c1-7-23-17-27(13-15-29(23)33-21(3)4)31-19-25-11-9-10-12-26(25)20-32-28-14-16-30(34-22(5)6)24(8-2)18-28/h7-18,21-22H,1-2,19-20H2,3-6H3
InChIKeyWGERHRYOVKOLHR-UHFFFAOYSA-N
MW458.60 g/mol
LogP7.70
Rot. Bonds12

About 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene

2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene (PubChem CID 101431014) has the molecular formula C30H34O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene
PubChem CID101431014
Molecular FormulaC30H34O4
Molecular Weight458.60 g/mol
Exact Mass458.25
IUPAC Name2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene
SMILESC=Cc1cc(OCc2ccccc2COc2ccc(OC(C)C)c(C=C)c2)ccc1OC(C)C
InChIInChI=1S/C30H34O4/c1-7-23-17-27(13-15-29(23)33-21(3)4)31-19-25-11-9-10-12-26(25)20-32-28-14-16-30(34-22(5)6)24(8-2)18-28/h7-18,21-22H,1-2,19-20H2,3-6H3
InChIKeyWGERHRYOVKOLHR-UHFFFAOYSA-N
XLogP7.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
2-ethenyl-3-propan-2-yloxynaphthalene;2-propan-2-yloxynaphthalene
CID 173224247
2-ethenyl-1,4-bis(1-ethoxyethoxy)benzene
CID 102247848
4-[(2-bromophenyl)methoxy]-2-propan-2-yloxyaniline
CID 83002347
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141305036
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
2-(3-ethenyl-4-propan-2-yloxyphenyl)-N,2-dimethylpropan-1-amine
CID 134565167
2-ethenyl-1,4-di(tetradecoxy)benzene
CID 102407771
2-ethenyl-4-[ethoxy-(4-methoxyphenyl)phosphoryl]-1-propan-2-yloxybenzene
CID 66742321
(3-ethenyl-4-propan-2-yloxyphenyl)methyl-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium
CID 102326558
2-ethenyl-4-methoxy-1-(2-propylpentoxy)benzene
CID 174257896

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene?
The IUPAC name of 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene (CID 101431014) is 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene.
What is the SMILES notation for 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene?
The canonical SMILES for 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene is C=Cc1cc(OCc2ccccc2COc2ccc(OC(C)C)c(C=C)c2)ccc1OC(C)C.
What is the InChIKey of 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene?
The InChIKey is WGERHRYOVKOLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O4/c1-7-23-17-27(13-15-29(23)33-21(3)4)31-19-25-11-9-10-12-26(25)20-32-28-14-16-30(34-22(5)6)24(8-2)18-28/h7-18,21-22H,1-2,19-20H2,3-6H3.
What are the key properties of 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene?
2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene has a molecular weight of 458.60 g/mol, XLogP of 7.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-[[2-[(3-ethenyl-4-propan-2-yloxyphenoxy)methyl]phenyl]methoxy]-1-propan-2-yloxybenzene is sourced from PubChem (CID 101431014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).