10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol

C23H34O5 — CID 163027506

IUPAC10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol
SMILESCOc1cc(C=CCO)cc(OC)c1OCCCC=C(C)CC=CC(C)(C)O
InChIInChI=1S/C23H34O5/c1-18(11-8-13-23(2,3)25)10-6-7-15-28-22-20(26-4)16-19(12-9-14-24)17-21(22)27-5/h8-10,12-13,16-17,24-25H,6-7,11,14-15H2,1-5H3
InChIKeyYVSCKGOCDLCJCI-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.53
Rot. Bonds12

About 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol

10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol (PubChem CID 163027506) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol.

Molecular Properties

Compound Name10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol
PubChem CID163027506
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol
SMILESCOc1cc(C=CCO)cc(OC)c1OCCCC=C(C)CC=CC(C)(C)O
InChIInChI=1S/C23H34O5/c1-18(11-8-13-23(2,3)25)10-6-7-15-28-22-20(26-4)16-19(12-9-14-24)17-21(22)27-5/h8-10,12-13,16-17,24-25H,6-7,11,14-15H2,1-5H3
InChIKeyYVSCKGOCDLCJCI-UHFFFAOYSA-N
XLogP4.53
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol
CID 162990839
(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-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 85214400
3-[4-(7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy)-3-methoxyphenyl]prop-2-en-1-ol
CID 162868720
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
3-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dimethoxyphenyl]prop-2-en-1-ol
CID 174472780
3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-ol
CID 79334314
(E)-3-[3,5-dimethoxy-4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-ol
CID 177209420
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
(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

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol?
The IUPAC name of 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol (CID 163027506) is 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol.
What is the SMILES notation for 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol?
The canonical SMILES for 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol is COc1cc(C=CCO)cc(OC)c1OCCCC=C(C)CC=CC(C)(C)O.
What is the InChIKey of 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol?
The InChIKey is YVSCKGOCDLCJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O5/c1-18(11-8-13-23(2,3)25)10-6-7-15-28-22-20(26-4)16-19(12-9-14-24)17-21(22)27-5/h8-10,12-13,16-17,24-25H,6-7,11,14-15H2,1-5H3.
What are the key properties of 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol?
10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol has a molecular weight of 390.52 g/mol, XLogP of 4.53, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethyldeca-3,6-dien-2-ol is sourced from PubChem (CID 163027506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).