1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene

C24H30O3 — CID 23382023

IUPAC1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
SMILESCC(C)=CCOc1ccccc1COCc1ccccc1OCC=C(C)C
InChIInChI=1S/C24H30O3/c1-19(2)13-15-26-23-11-7-5-9-21(23)17-25-18-22-10-6-8-12-24(22)27-16-14-20(3)4/h5-14H,15-18H2,1-4H3
InChIKeyANYPZTWXNNQSBK-UHFFFAOYSA-N
MW366.50 g/mol
LogP6.09
Rot. Bonds10

About 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene

1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene (PubChem CID 23382023) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene.

Molecular Properties

Compound Name1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
PubChem CID23382023
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
SMILESCC(C)=CCOc1ccccc1COCc1ccccc1OCC=C(C)C
InChIInChI=1S/C24H30O3/c1-19(2)13-15-26-23-11-7-5-9-21(23)17-25-18-22-10-6-8-12-24(22)27-16-14-20(3)4/h5-14H,15-18H2,1-4H3
InChIKeyANYPZTWXNNQSBK-UHFFFAOYSA-N
XLogP6.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
phosphono [2-[(2E,6E)-3,6,11-trimethyldodeca-2,6,10-trienoxy]phenyl]methyl hydrogen phosphate
CID 168749406
1-[[(E)-but-2-enoxy]methyl]-2-[2-[2-[[(E)-but-2-enoxy]methyl]phenoxy]ethoxy]benzene
CID 102197349
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
CID 101239649
[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 63322907
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
2-methyl-4-(2-prop-2-enylphenoxy)but-2-enoic acid
CID 77075220
1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
CID 114284672
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene?
The IUPAC name of 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene (CID 23382023) is 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene.
What is the SMILES notation for 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene?
The canonical SMILES for 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene is CC(C)=CCOc1ccccc1COCc1ccccc1OCC=C(C)C.
What is the InChIKey of 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene?
The InChIKey is ANYPZTWXNNQSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c1-19(2)13-15-26-23-11-7-5-9-21(23)17-25-18-22-10-6-8-12-24(22)27-16-14-20(3)4/h5-14H,15-18H2,1-4H3.
What are the key properties of 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene?
1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene has a molecular weight of 366.50 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene is sourced from PubChem (CID 23382023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).