(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one

C23H26O4 — CID 10248342

IUPAC(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one
SMILESC=CCOc1ccc(C(=O)/C=C(\CCC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H26O4/c1-5-7-18(21-13-12-20(25-3)16-23(21)26-4)15-22(24)17-8-10-19(11-9-17)27-14-6-2/h6,8-13,15-16H,2,5,7,14H2,1,3-4H3/b18-15+
InChIKeyYUKBNIWMDXBPBS-OBGWFSINSA-N
MW366.46 g/mol
LogP5.34
Rot. Bonds10

About (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one

(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one (PubChem CID 10248342) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one
PubChem CID10248342
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one
SMILESC=CCOc1ccc(C(=O)/C=C(\CCC)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H26O4/c1-5-7-18(21-13-12-20(25-3)16-23(21)26-4)15-22(24)17-8-10-19(11-9-17)27-14-6-2/h6,8-13,15-16H,2,5,7,14H2,1,3-4H3/b18-15+
InChIKeyYUKBNIWMDXBPBS-OBGWFSINSA-N
XLogP5.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)but-2-en-1-one
CID 54092549
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
CID 11558906
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid
CID 10516728
(E)-1-(4-prop-2-enoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 59084049
3-(2,4-dimethoxy-5-propylphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54402984
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-yn-1-one
CID 10448798
(E)-3-(2,6-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 10615963
3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54173352
(E)-3-(2,4-dimethoxy-5-prop-2-enylphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 18178225
3-(4-tert-butyl-3,5-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54487750
(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one (CID 10248342) is (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one is C=CCOc1ccc(C(=O)/C=C(\CCC)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one?
The InChIKey is YUKBNIWMDXBPBS-OBGWFSINSA-N. The full InChI is InChI=1S/C23H26O4/c1-5-7-18(21-13-12-20(25-3)16-23(21)26-4)15-22(24)17-8-10-19(11-9-17)27-14-6-2/h6,8-13,15-16H,2,5,7,14H2,1,3-4H3/b18-15+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one?
(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one has a molecular weight of 366.46 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one is sourced from PubChem (CID 10248342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).