(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one

C15H20O3 — CID 102021855

IUPAC(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
SMILESCOc1ccc(OC)c(CC/C(C)=C\C(C)=O)c1
InChIInChI=1S/C15H20O3/c1-11(9-12(2)16)5-6-13-10-14(17-3)7-8-15(13)18-4/h7-10H,5-6H2,1-4H3/b11-9-
InChIKeyAMPYHCDKCSLEON-LUAWRHEFSA-N
MW248.32 g/mol
LogP3.17
Rot. Bonds6

About (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one

(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one (PubChem CID 102021855) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one.

Molecular Properties

Compound Name(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
PubChem CID102021855
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
SMILESCOc1ccc(OC)c(CC/C(C)=C\C(C)=O)c1
InChIInChI=1S/C15H20O3/c1-11(9-12(2)16)5-6-13-10-14(17-3)7-8-15(13)18-4/h7-10H,5-6H2,1-4H3/b11-9-
InChIKeyAMPYHCDKCSLEON-LUAWRHEFSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
CID 24721947
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one?
The IUPAC name of (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one (CID 102021855) is (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one.
What is the SMILES notation for (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one?
The canonical SMILES for (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one is COc1ccc(OC)c(CC/C(C)=C\C(C)=O)c1.
What is the InChIKey of (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one?
The InChIKey is AMPYHCDKCSLEON-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(9-12(2)16)5-6-13-10-14(17-3)7-8-15(13)18-4/h7-10H,5-6H2,1-4H3/b11-9-.
What are the key properties of (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one?
(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one has a molecular weight of 248.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one is sourced from PubChem (CID 102021855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).