(2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol

C18H24O5 — CID 126606756

IUPAC(2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol
SMILESC=C(/C=C(\C=C(/C)OC)C(O)c1cc(OC)cc(OC)c1)OC
InChIInChI=1S/C18H24O5/c1-12(20-3)7-14(8-13(2)21-4)18(19)15-9-16(22-5)11-17(10-15)23-6/h7-11,18-19H,1H2,2-6H3/b13-8+,14-7+
InChIKeyAGOOSJBSGDBWGM-CCLLZULESA-N
MW320.39 g/mol
LogP3.37
Rot. Bonds8

About (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol

(2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol (PubChem CID 126606756) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol
PubChem CID126606756
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name(2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol
SMILESC=C(/C=C(\C=C(/C)OC)C(O)c1cc(OC)cc(OC)c1)OC
InChIInChI=1S/C18H24O5/c1-12(20-3)7-14(8-13(2)21-4)18(19)15-9-16(22-5)11-17(10-15)23-6/h7-11,18-19H,1H2,2-6H3/b13-8+,14-7+
InChIKeyAGOOSJBSGDBWGM-CCLLZULESA-N
XLogP3.37
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol?
The IUPAC name of (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol (CID 126606756) is (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol is C=C(/C=C(\C=C(/C)OC)C(O)c1cc(OC)cc(OC)c1)OC.
What is the InChIKey of (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol?
The InChIKey is AGOOSJBSGDBWGM-CCLLZULESA-N. The full InChI is InChI=1S/C18H24O5/c1-12(20-3)7-14(8-13(2)21-4)18(19)15-9-16(22-5)11-17(10-15)23-6/h7-11,18-19H,1H2,2-6H3/b13-8+,14-7+.
What are the key properties of (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol?
(2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol has a molecular weight of 320.39 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(3,5-dimethoxyphenyl)-4-methoxy-2-[(E)-2-methoxyprop-1-enyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 126606756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).