1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene

C20H26O2 — CID 174767266

IUPAC1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene
SMILESC/C=C/c1ccc(OC)cc1.CC=CC1=CCC(OC)C=C1
InChIInChI=1S/C10H14O.C10H12O/c2*1-3-4-9-5-7-10(11-2)8-6-9/h3-7,10H,8H2,1-2H3;3-8H,1-2H3/b;4-3+
InChIKeySGWPUWKEDOSWJG-SCBDLNNBSA-N
MW298.43 g/mol
LogP5.19
Rot. Bonds4

About 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene

1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene (PubChem CID 174767266) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene
PubChem CID174767266
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene
SMILESC/C=C/c1ccc(OC)cc1.CC=CC1=CCC(OC)C=C1
InChIInChI=1S/C10H14O.C10H12O/c2*1-3-4-9-5-7-10(11-2)8-6-9/h3-7,10H,8H2,1-2H3;3-8H,1-2H3/b;4-3+
InChIKeySGWPUWKEDOSWJG-SCBDLNNBSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-prop-1-enylbenzene
CID 67322568
N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
CID 89020124
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
2,5-dimethoxycyclohexa-1,3-diene
CID 13404344
CID 135078844
CID 135078844
1H-indole;1-methoxy-4-prop-1-enylbenzene
CID 67195673
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177
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
[(Z)-2-(4-methoxyphenyl)ethenoxy]-trimethylsilane
CID 11241544

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene (CID 174767266) is 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene is C/C=C/c1ccc(OC)cc1.CC=CC1=CCC(OC)C=C1.
What is the InChIKey of 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene?
The InChIKey is SGWPUWKEDOSWJG-SCBDLNNBSA-N. The full InChI is InChI=1S/C10H14O.C10H12O/c2*1-3-4-9-5-7-10(11-2)8-6-9/h3-7,10H,8H2,1-2H3;3-8H,1-2H3/b;4-3+.
What are the key properties of 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene?
1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene has a molecular weight of 298.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-prop-1-enyl]benzene;5-methoxy-2-prop-1-enylcyclohexa-1,3-diene is sourced from PubChem (CID 174767266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).