1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene

C20H24O2 — CID 141251614

IUPAC1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene
SMILESCCc1ccc(C/C=C/c2ccc(OC)cc2)c(C)c1OC
InChIInChI=1S/C20H24O2/c1-5-17-11-12-18(15(2)20(17)22-4)8-6-7-16-9-13-19(21-3)14-10-16/h6-7,9-14H,5,8H2,1-4H3/b7-6+
InChIKeyCQKJOYOIJXFDFF-VOTSOKGWSA-N
MW296.41 g/mol
LogP4.83
Rot. Bonds6

About 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene

1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene (PubChem CID 141251614) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene.

Molecular Properties

Compound Name1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene
PubChem CID141251614
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene
SMILESCCc1ccc(C/C=C/c2ccc(OC)cc2)c(C)c1OC
InChIInChI=1S/C20H24O2/c1-5-17-11-12-18(15(2)20(17)22-4)8-6-7-16-9-13-19(21-3)14-10-16/h6-7,9-14H,5,8H2,1-4H3/b7-6+
InChIKeyCQKJOYOIJXFDFF-VOTSOKGWSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
4-methoxy-2-(methoxymethoxy)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 10781559
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
CID 141285952
2-[3-(4-methoxyphenyl)prop-2-enyl]chromen-4-one
CID 70138614
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925
4-[3-(2-hydroxy-4-methoxyphenyl)prop-1-enyl]benzene-1,2-diol
CID 85093472
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 46231236

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene?
The IUPAC name of 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene (CID 141251614) is 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene.
What is the SMILES notation for 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene?
The canonical SMILES for 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene is CCc1ccc(C/C=C/c2ccc(OC)cc2)c(C)c1OC.
What is the InChIKey of 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene?
The InChIKey is CQKJOYOIJXFDFF-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H24O2/c1-5-17-11-12-18(15(2)20(17)22-4)8-6-7-16-9-13-19(21-3)14-10-16/h6-7,9-14H,5,8H2,1-4H3/b7-6+.
What are the key properties of 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene?
1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene has a molecular weight of 296.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methylbenzene is sourced from PubChem (CID 141251614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).