(6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol

C19H29O6P — CID 135011324

IUPAC(6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol
SMILESCOc1cc(/C=C/C=C/CCCC(O)CP(=O)(OC)OC)cc(OC)c1
InChIInChI=1S/C19H29O6P/c1-22-18-12-16(13-19(14-18)23-2)10-8-6-5-7-9-11-17(20)15-26(21,24-3)25-4/h5-6,8,10,12-14,17,20H,7,9,11,15H2,1-4H3/b6-5+,10-8+
InChIKeyVQZCGUHKSHNKKL-FTKIWFIZSA-N
MW384.41 g/mol
LogP4.29
Rot. Bonds12

About (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol

(6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol (PubChem CID 135011324) has the molecular formula C19H29O6P and a molecular weight of 384.41 g/mol. Its IUPAC name is (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol.

Molecular Properties

Compound Name(6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol
PubChem CID135011324
Molecular FormulaC19H29O6P
Molecular Weight384.41 g/mol
Exact Mass384.17
IUPAC Name(6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol
SMILESCOc1cc(/C=C/C=C/CCCC(O)CP(=O)(OC)OC)cc(OC)c1
InChIInChI=1S/C19H29O6P/c1-22-18-12-16(13-19(14-18)23-2)10-8-6-5-7-9-11-17(20)15-26(21,24-3)25-4/h5-6,8,10,12-14,17,20H,7,9,11,15H2,1-4H3/b6-5+,10-8+
InChIKeyVQZCGUHKSHNKKL-FTKIWFIZSA-N
XLogP4.29
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol?
The IUPAC name of (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol (CID 135011324) is (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol.
What is the SMILES notation for (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol?
The canonical SMILES for (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol is COc1cc(/C=C/C=C/CCCC(O)CP(=O)(OC)OC)cc(OC)c1.
What is the InChIKey of (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol?
The InChIKey is VQZCGUHKSHNKKL-FTKIWFIZSA-N. The full InChI is InChI=1S/C19H29O6P/c1-22-18-12-16(13-19(14-18)23-2)10-8-6-5-7-9-11-17(20)15-26(21,24-3)25-4/h5-6,8,10,12-14,17,20H,7,9,11,15H2,1-4H3/b6-5+,10-8+.
What are the key properties of (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol?
(6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol has a molecular weight of 384.41 g/mol, XLogP of 4.29, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-9-(3,5-dimethoxyphenyl)-1-dimethoxyphosphorylnona-6,8-dien-2-ol is sourced from PubChem (CID 135011324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).