1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene

C20H30O3 — CID 163402470

IUPAC1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene
SMILESCCCOC=C(C)c1cccc(C(C)=COCCCCOC)c1
InChIInChI=1S/C20H30O3/c1-5-11-22-15-17(2)19-9-8-10-20(14-19)18(3)16-23-13-7-6-12-21-4/h8-10,14-16H,5-7,11-13H2,1-4H3
InChIKeyWAKMYRXTVTWBMM-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.28
Rot. Bonds11

About 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene

1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene (PubChem CID 163402470) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene
PubChem CID163402470
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene
SMILESCCCOC=C(C)c1cccc(C(C)=COCCCCOC)c1
InChIInChI=1S/C20H30O3/c1-5-11-22-15-17(2)19-9-8-10-20(14-19)18(3)16-23-13-7-6-12-21-4/h8-10,14-16H,5-7,11-13H2,1-4H3
InChIKeyWAKMYRXTVTWBMM-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;1,3-bis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]prop-1-en-2-yl]benzene;1,3-bis[1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 160906982
1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene
CID 163241268
1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 163241352
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene
CID 146277990
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[1-(1-pentan-2-yloxypropan-2-yloxy)prop-1-en-2-yl]benzene
CID 157293565
1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene
CID 175729187
1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane
CID 156647415
1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 158088780
3-O-(2-methoxyethyl) 1-O-pentyl benzene-1,3-dicarboxylate
CID 91693964
(2-butoxy-1-phenylethenyl)benzene
CID 57081718
1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-methylpropoxy)prop-1-en-2-yl]benzene;methanethiol
CID 163241299

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene?
The IUPAC name of 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene (CID 163402470) is 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene?
The canonical SMILES for 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene is CCCOC=C(C)c1cccc(C(C)=COCCCCOC)c1.
What is the InChIKey of 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene?
The InChIKey is WAKMYRXTVTWBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-5-11-22-15-17(2)19-9-8-10-20(14-19)18(3)16-23-13-7-6-12-21-4/h8-10,14-16H,5-7,11-13H2,1-4H3.
What are the key properties of 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene?
1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene has a molecular weight of 318.46 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene is sourced from PubChem (CID 163402470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).