1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one

C22H26O3 — CID 143579292

IUPAC1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one
SMILESCC/C=C(/C)c1ccc(-c2ccc(OC)cc2OC)c(C(=O)CC)c1
InChIInChI=1S/C22H26O3/c1-6-8-15(3)16-9-11-18(20(13-16)21(23)7-2)19-12-10-17(24-4)14-22(19)25-5/h8-14H,6-7H2,1-5H3/b15-8-
InChIKeyRXHRXSXSHSTILO-NVNXTCNLSA-N
MW338.45 g/mol
LogP5.78
Rot. Bonds7

About 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one

1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one (PubChem CID 143579292) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one
PubChem CID143579292
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one
SMILESCC/C=C(/C)c1ccc(-c2ccc(OC)cc2OC)c(C(=O)CC)c1
InChIInChI=1S/C22H26O3/c1-6-8-15(3)16-9-11-18(20(13-16)21(23)7-2)19-12-10-17(24-4)14-22(19)25-5/h8-14H,6-7H2,1-5H3/b15-8-
InChIKeyRXHRXSXSHSTILO-NVNXTCNLSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
(E)-1-(4-hydroxy-3-propanoylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 15643084
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
CID 174581854
2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
CID 82169115
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763
(E)-1-(2,4-dimethoxyphenyl)pent-2-en-1-one
CID 103454091
1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene
CID 143904516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one (CID 143579292) is 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one is CC/C=C(/C)c1ccc(-c2ccc(OC)cc2OC)c(C(=O)CC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one?
The InChIKey is RXHRXSXSHSTILO-NVNXTCNLSA-N. The full InChI is InChI=1S/C22H26O3/c1-6-8-15(3)16-9-11-18(20(13-16)21(23)7-2)19-12-10-17(24-4)14-22(19)25-5/h8-14H,6-7H2,1-5H3/b15-8-.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one?
1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)-5-[(Z)-pent-2-en-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 143579292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).