1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol

C22H26O5 — CID 141356926

IUPAC1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol
SMILESCC(COc1ccccc1)=C(O)COCC(O)=C(C)COc1ccccc1
InChIInChI=1S/C22H26O5/c1-17(13-26-19-9-5-3-6-10-19)21(23)15-25-16-22(24)18(2)14-27-20-11-7-4-8-12-20/h3-12,23-24H,13-16H2,1-2H3
InChIKeyIOQGEYOOJGAXEN-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.82
Rot. Bonds10

About 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol

1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol (PubChem CID 141356926) has the molecular formula C22H26O5 and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol
PubChem CID141356926
Molecular FormulaC22H26O5
Molecular Weight370.44 g/mol
Exact Mass370.18
IUPAC Name1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol
SMILESCC(COc1ccccc1)=C(O)COCC(O)=C(C)COc1ccccc1
InChIInChI=1S/C22H26O5/c1-17(13-26-19-9-5-3-6-10-19)21(23)15-25-16-22(24)18(2)14-27-20-11-7-4-8-12-20/h3-12,23-24H,13-16H2,1-2H3
InChIKeyIOQGEYOOJGAXEN-UHFFFAOYSA-N
XLogP4.82
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;2-phenoxyacetic acid
CID 157255542
2-phenoxyacetic acid;titanium
CID 174896747
2-phenoxyacetic acid;phenyl acetate
CID 160680696
O-methyl 2-phenoxyethanethioate
CID 154302065
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126
methyl 2-phenoxyethaneperoxoate
CID 57363881
(1-ethoxy-2-phenoxyethylidene)azanium
CID 91267189
ethoxybenzene;ethoxyethane
CID 67764259
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
3-methyl-3-(3-phenoxyprop-1-en-2-yl)pentane-2,4-dione
CID 101018712

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol?
The IUPAC name of 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol (CID 141356926) is 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol is CC(COc1ccccc1)=C(O)COCC(O)=C(C)COc1ccccc1.
What is the InChIKey of 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol?
The InChIKey is IOQGEYOOJGAXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-17(13-26-19-9-5-3-6-10-19)21(23)15-25-16-22(24)18(2)14-27-20-11-7-4-8-12-20/h3-12,23-24H,13-16H2,1-2H3.
What are the key properties of 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol?
1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol has a molecular weight of 370.44 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methyl-4-phenoxybut-2-enoxy)-3-methyl-4-phenoxybut-2-en-2-ol is sourced from PubChem (CID 141356926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).