4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one

C22H26O4 — CID 10155101

IUPAC4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one
SMILESC/C=C/c1cc(C(CC(C)=O)c2ccc(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C22H26O4/c1-6-7-18-13-16(8-10-20(18)24-3)19(12-15(2)23)17-9-11-21(25-4)22(14-17)26-5/h6-11,13-14,19H,12H2,1-5H3/b7-6+
InChIKeyXLWZUTDKNWGTKI-VOTSOKGWSA-N
MW354.45 g/mol
LogP4.86
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one

4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one (PubChem CID 10155101) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one
PubChem CID10155101
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one
SMILESC/C=C/c1cc(C(CC(C)=O)c2ccc(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C22H26O4/c1-6-7-18-13-16(8-10-20(18)24-3)19(12-15(2)23)17-9-11-21(25-4)22(14-17)26-5/h6-11,13-14,19H,12H2,1-5H3/b7-6+
InChIKeyXLWZUTDKNWGTKI-VOTSOKGWSA-N
XLogP4.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide
CID 10275387
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
2-(3,4-dimethoxyphenyl)but-3-enoic acid;ethene
CID 143227697
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 174884025
(4S)-4-(3,4-dimethoxyphenyl)-5-nitropentan-2-one
CID 46201853
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
(E)-3-[5-(2-cyano-1,2-dihydroxyethyl)-2-methoxyphenyl]prop-2-enoic acid
CID 171871181
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
[(1S,2R)-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl] 3,4-dimethoxybenzoate
CID 132967542

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one (CID 10155101) is 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one is C/C=C/c1cc(C(CC(C)=O)c2ccc(OC)c(OC)c2)ccc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one?
The InChIKey is XLWZUTDKNWGTKI-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H26O4/c1-6-7-18-13-16(8-10-20(18)24-3)19(12-15(2)23)17-9-11-21(25-4)22(14-17)26-5/h6-11,13-14,19H,12H2,1-5H3/b7-6+.
What are the key properties of 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one?
4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one has a molecular weight of 354.45 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one is sourced from PubChem (CID 10155101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).