8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol

C21H30O5 — CID 162990839

IUPAC8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol
SMILESCOc1cc(C=CCO)cc(OC)c1OCC=C(C)CC=CC(C)(C)O
InChIInChI=1S/C21H30O5/c1-16(8-6-11-21(2,3)23)10-13-26-20-18(24-4)14-17(9-7-12-22)15-19(20)25-5/h6-7,9-11,14-15,22-23H,8,12-13H2,1-5H3
InChIKeyYJTIOQZTJIAHSO-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.75
Rot. Bonds10

About 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol

8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol (PubChem CID 162990839) has the molecular formula C21H30O5 and a molecular weight of 362.47 g/mol. Its IUPAC name is 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol.

Molecular Properties

Compound Name8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol
PubChem CID162990839
Molecular FormulaC21H30O5
Molecular Weight362.47 g/mol
Exact Mass362.21
IUPAC Name8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol
SMILESCOc1cc(C=CCO)cc(OC)c1OCC=C(C)CC=CC(C)(C)O
InChIInChI=1S/C21H30O5/c1-16(8-6-11-21(2,3)23)10-13-26-20-18(24-4)14-17(9-7-12-22)15-19(20)25-5/h6-7,9-11,14-15,22-23H,8,12-13H2,1-5H3
InChIKeyYJTIOQZTJIAHSO-UHFFFAOYSA-N
XLogP3.75
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol
CID 163027506
3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 85214400
(3Z,6E)-4-ethoxy-8-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol
CID 10431468
3-[4-(7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy)-3-methoxyphenyl]prop-2-en-1-ol
CID 162868720
(E)-3-[3-methoxy-5-methyl-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol;(E)-3-[3-methyl-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 145196289
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
CID 177209420
1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene
CID 102439840
3-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dimethoxyphenyl]prop-2-en-1-ol
CID 174472780
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol?
The IUPAC name of 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol (CID 162990839) is 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol.
What is the SMILES notation for 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol?
The canonical SMILES for 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol is COc1cc(C=CCO)cc(OC)c1OCC=C(C)CC=CC(C)(C)O.
What is the InChIKey of 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol?
The InChIKey is YJTIOQZTJIAHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O5/c1-16(8-6-11-21(2,3)23)10-13-26-20-18(24-4)14-17(9-7-12-22)15-19(20)25-5/h6-7,9-11,14-15,22-23H,8,12-13H2,1-5H3.
What are the key properties of 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol?
8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol has a molecular weight of 362.47 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol is sourced from PubChem (CID 162990839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).