1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene

C20H30O4 — CID 163241268

IUPAC1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene
SMILESCOCCCOC=C(C)c1ccc(C(C)=COCCCOC)cc1
InChIInChI=1S/C20H30O4/c1-17(15-23-13-5-11-21-3)19-7-9-20(10-8-19)18(2)16-24-14-6-12-22-4/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKeyLGHMWJMEBFSMPC-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.51
Rot. Bonds12

About 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene

1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene (PubChem CID 163241268) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene
PubChem CID163241268
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene
SMILESCOCCCOC=C(C)c1ccc(C(C)=COCCCOC)cc1
InChIInChI=1S/C20H30O4/c1-17(15-23-13-5-11-21-3)19-7-9-20(10-8-19)18(2)16-24-14-6-12-22-4/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKeyLGHMWJMEBFSMPC-UHFFFAOYSA-N
XLogP4.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 156647396
1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene
CID 163402470
2-[3-[(Z)-2-phenylprop-1-enoxy]propyl]thiirane 1-oxide
CID 176603220
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938
3-methoxypropyl 4-sulfanylbenzoate
CID 107018239
1-ethenoxy-3-methoxypropane
CID 22058891
2-methyl-2-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiirane
CID 176604237
3-formyloxypropyl 4-(6-methoxyhexoxy)benzoate
CID 122550535
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
4-methoxybutyl 4-acetylbenzoate;2-methoxyethyl 4-acetylbenzoate
CID 158601730
5-formyloxypentyl 4-(4-methoxybutoxy)benzoate
CID 90194224
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene?
The IUPAC name of 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene (CID 163241268) is 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene?
The canonical SMILES for 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene is COCCCOC=C(C)c1ccc(C(C)=COCCCOC)cc1.
What is the InChIKey of 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene?
The InChIKey is LGHMWJMEBFSMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-17(15-23-13-5-11-21-3)19-7-9-20(10-8-19)18(2)16-24-14-6-12-22-4/h7-10,15-16H,5-6,11-14H2,1-4H3.
What are the key properties of 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene?
1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene has a molecular weight of 334.46 g/mol, XLogP of 4.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene is sourced from PubChem (CID 163241268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).