1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene

C17H18O2 — CID 101367118

IUPAC1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
SMILES[2H]C([2H])(C(=C)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O2/c1-13(15-6-10-17(19-3)11-7-15)12-14-4-8-16(18-2)9-5-14/h4-11H,1,12H2,2-3H3/i12D2
InChIKeyJWAXELXHDJHYPD-XUWBISKJSA-N
MW256.34 g/mol
LogP3.96
Rot. Bonds5

About 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene

1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene (PubChem CID 101367118) has the molecular formula C17H18O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
PubChem CID101367118
Molecular FormulaC17H18O2
Molecular Weight256.34 g/mol
Exact Mass256.14
IUPAC Name1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
SMILES[2H]C([2H])(C(=C)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O2/c1-13(15-6-10-17(19-3)11-7-15)12-14-4-8-16(18-2)9-5-14/h4-11H,1,12H2,2-3H3/i12D2
InChIKeyJWAXELXHDJHYPD-XUWBISKJSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)prop-2-ene-1-thiol
CID 144986295
1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
CID 172676194
4-(4-methoxyphenyl)pent-4-enal
CID 102505314
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
1-[2-(4-methoxyphenyl)prop-2-enyl]piperidine
CID 53360981
(4-methoxyphenyl)methanol
CID 7738
1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
CID 102437970
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole
CID 22971799
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049
1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione
CID 135990626

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene?
The IUPAC name of 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene (CID 101367118) is 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene is [2H]C([2H])(C(=C)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene?
The InChIKey is JWAXELXHDJHYPD-XUWBISKJSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(15-6-10-17(19-3)11-7-15)12-14-4-8-16(18-2)9-5-14/h4-11H,1,12H2,2-3H3/i12D2.
What are the key properties of 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene?
1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene has a molecular weight of 256.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene is sourced from PubChem (CID 101367118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).