1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene

C20H24O3 — CID 72521218

IUPAC1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene
SMILESCOC=CC(C)(C)c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24O3/c1-20(2,12-13-21-3)17-10-11-18(22-4)19(14-17)23-15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3
InChIKeyPFULQQPURNKKBD-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.71
Rot. Bonds7

About 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene

1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene (PubChem CID 72521218) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene
PubChem CID72521218
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene
SMILESCOC=CC(C)(C)c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C20H24O3/c1-20(2,12-13-21-3)17-10-11-18(22-4)19(14-17)23-15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3
InChIKeyPFULQQPURNKKBD-UHFFFAOYSA-N
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene 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-amino-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 118323033
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
(E)-N-[(4-tert-butylphenyl)methoxy]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 6906138
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate
CID 160515874
1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol
CID 67742855
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene?
The IUPAC name of 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene (CID 72521218) is 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene?
The canonical SMILES for 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene is COC=CC(C)(C)c1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene?
The InChIKey is PFULQQPURNKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-20(2,12-13-21-3)17-10-11-18(22-4)19(14-17)23-15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3.
What are the key properties of 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene?
1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene has a molecular weight of 312.41 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene is sourced from PubChem (CID 72521218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).