(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol

C24H30O3 — CID 14609864

IUPAC(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol
SMILESC=C(COCc1ccccc1)C(O)CC/C(C)=C/COCc1ccccc1
InChIInChI=1S/C24H30O3/c1-20(15-16-26-18-22-9-5-3-6-10-22)13-14-24(25)21(2)17-27-19-23-11-7-4-8-12-23/h3-12,15,24-25H,2,13-14,16-19H2,1H3/b20-15+
InChIKeyJDWVFFYDKCSENF-HMMYKYKNSA-N
MW366.50 g/mol
LogP5.06
Rot. Bonds12

About (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol

(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol (PubChem CID 14609864) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol.

Molecular Properties

Compound Name(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol
PubChem CID14609864
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol
SMILESC=C(COCc1ccccc1)C(O)CC/C(C)=C/COCc1ccccc1
InChIInChI=1S/C24H30O3/c1-20(15-16-26-18-22-9-5-3-6-10-22)13-14-24(25)21(2)17-27-19-23-11-7-4-8-12-23/h3-12,15,24-25H,2,13-14,16-19H2,1H3/b20-15+
InChIKeyJDWVFFYDKCSENF-HMMYKYKNSA-N
XLogP5.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol 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

2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
CID 70556140
[(2E)-6-chloro-3,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 14603983
2,6-dimethyl-8-phenylmethoxyoct-6-ene-2,3-diol
CID 71340836
2-[(E)-4-methyl-6-phenylmethoxyhex-4-enyl]propane-1,3-diol
CID 101336587
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
methyl (Z,3R)-3-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-2-methylidene-8-phenylmethoxyoct-6-enoate
CID 132580515
(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
(2E,6E,10E,14E)-1,1-dideuterio-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 11749906
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
(1Z,3S,6E)-1-iodo-8-[(4-methoxyphenyl)methoxy]-2,6-dimethylocta-1,6-dien-3-ol
CID 102467318

Frequently Asked Questions

What is the IUPAC name of (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol?
The IUPAC name of (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol (CID 14609864) is (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol.
What is the SMILES notation for (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol?
The canonical SMILES for (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol is C=C(COCc1ccccc1)C(O)CC/C(C)=C/COCc1ccccc1.
What is the InChIKey of (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol?
The InChIKey is JDWVFFYDKCSENF-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H30O3/c1-20(15-16-26-18-22-9-5-3-6-10-22)13-14-24(25)21(2)17-27-19-23-11-7-4-8-12-23/h3-12,15,24-25H,2,13-14,16-19H2,1H3/b20-15+.
What are the key properties of (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol?
(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol has a molecular weight of 366.50 g/mol, XLogP of 5.06, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol is sourced from PubChem (CID 14609864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).