1-methoxy-4-prop-1-enylbenzene

C20H24O2 — CID 67322568

IUPAC1-methoxy-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(OC)cc1.CC=Cc1ccc(OC)cc1
InChIInChI=1S/2C10H12O/c2*1-3-4-9-5-7-10(11-2)8-6-9/h2*3-8H,1-2H3
InChIKeyKPPNOMMXCHIJKC-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.46
Rot. Bonds4

About 1-methoxy-4-prop-1-enylbenzene

1-methoxy-4-prop-1-enylbenzene (PubChem CID 67322568) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methoxy-4-prop-1-enylbenzene.

Molecular Properties

Compound Name1-methoxy-4-prop-1-enylbenzene
PubChem CID67322568
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-methoxy-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(OC)cc1.CC=Cc1ccc(OC)cc1
InChIInChI=1S/2C10H12O/c2*1-3-4-9-5-7-10(11-2)8-6-9/h2*3-8H,1-2H3
InChIKeyKPPNOMMXCHIJKC-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-4-prop-1-enylbenzene 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

dithiirane-3-thione;1-methoxy-4-prop-1-enylbenzene
CID 175445582
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
CID 135078844
CID 135078844
1H-indole;1-methoxy-4-prop-1-enylbenzene
CID 67195673
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-fluoro-4-methoxy-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145014279
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
trimethyl-(4-prop-1-enylphenoxy)silane
CID 141363385
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-prop-1-enylbenzene?
The IUPAC name of 1-methoxy-4-prop-1-enylbenzene (CID 67322568) is 1-methoxy-4-prop-1-enylbenzene.
What is the SMILES notation for 1-methoxy-4-prop-1-enylbenzene?
The canonical SMILES for 1-methoxy-4-prop-1-enylbenzene is CC=Cc1ccc(OC)cc1.CC=Cc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-prop-1-enylbenzene?
The InChIKey is KPPNOMMXCHIJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12O/c2*1-3-4-9-5-7-10(11-2)8-6-9/h2*3-8H,1-2H3.
What are the key properties of 1-methoxy-4-prop-1-enylbenzene?
1-methoxy-4-prop-1-enylbenzene has a molecular weight of 296.41 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-prop-1-enylbenzene is sourced from PubChem (CID 67322568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).