2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone

C26H32O5 — CID 67687740

IUPAC2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone
SMILESCOc1cc(C(O)C(=O)c2ccccc2)cc(OC)c1OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C26H32O5/c1-18(2)10-9-11-19(3)14-15-31-26-22(29-4)16-21(17-23(26)30-5)25(28)24(27)20-12-7-6-8-13-20/h6-8,10,12-14,16-17,25,28H,9,11,15H2,1-5H3/b19-14-
InChIKeyJFFOSKNCGHNNCG-RGEXLXHISA-N
MW424.54 g/mol
LogP5.69
Rot. Bonds11

About 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone

2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone (PubChem CID 67687740) has the molecular formula C26H32O5 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone
PubChem CID67687740
Molecular FormulaC26H32O5
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone
SMILESCOc1cc(C(O)C(=O)c2ccccc2)cc(OC)c1OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C26H32O5/c1-18(2)10-9-11-19(3)14-15-31-26-22(29-4)16-21(17-23(26)30-5)25(28)24(27)20-12-7-6-8-13-20/h6-8,10,12-14,16-17,25,28H,9,11,15H2,1-5H3/b19-14-
InChIKeyJFFOSKNCGHNNCG-RGEXLXHISA-N
XLogP5.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,7-dimethylocta-2,6-dienoxy)-3-methoxybenzoic acid
CID 54425440
3,7-dimethylocta-2,6-dienyl 2-oxo-2-phenylacetate
CID 140658272
(E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 155567239
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-phenylbutane-1,3-dione
CID 10063286
[4-(3,7-dimethylocta-2,6-dienoxy)-7-methoxy-2-oxochromen-3-yl] benzoate
CID 54443378
methoxymethyl 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxybenzoate
CID 25066806
(E)-3-[3-methoxy-4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoic acid
CID 161410102
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate
CID 45114266
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxybenzoic acid;methoxymethyl 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxybenzoate
CID 162213475
3-anilino-1-phenyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-1-one
CID 154720217
4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine
CID 162858744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone (CID 67687740) is 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone is COc1cc(C(O)C(=O)c2ccccc2)cc(OC)c1OC/C=C(/C)CCC=C(C)C.
What is the InChIKey of 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone?
The InChIKey is JFFOSKNCGHNNCG-RGEXLXHISA-N. The full InChI is InChI=1S/C26H32O5/c1-18(2)10-9-11-19(3)14-15-31-26-22(29-4)16-21(17-23(26)30-5)25(28)24(27)20-12-7-6-8-13-20/h6-8,10,12-14,16-17,25,28H,9,11,15H2,1-5H3/b19-14-.
What are the key properties of 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone?
2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone has a molecular weight of 424.54 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,5-dimethoxyphenyl]-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 67687740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).