1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol

C22H38O8 — CID 155649044

IUPAC1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
SMILESCOCCOCCOCC(C)(O)c1ccc(CC(C)(O)OCCOCCOC)cc1
InChIInChI=1S/C22H38O8/c1-21(23,18-29-14-13-27-11-9-25-3)20-7-5-19(6-8-20)17-22(2,24)30-16-15-28-12-10-26-4/h5-8,23-24H,9-18H2,1-4H3
InChIKeyHTMFLJZVKCTUHR-UHFFFAOYSA-N
MW430.54 g/mol
LogP1.50
Rot. Bonds18

About 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol

1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol (PubChem CID 155649044) has the molecular formula C22H38O8 and a molecular weight of 430.54 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
PubChem CID155649044
Molecular FormulaC22H38O8
Molecular Weight430.54 g/mol
Exact Mass430.26
IUPAC Name1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
SMILESCOCCOCCOCC(C)(O)c1ccc(CC(C)(O)OCCOCCOC)cc1
InChIInChI=1S/C22H38O8/c1-21(23,18-29-14-13-27-11-9-25-3)20-7-5-19(6-8-20)17-22(2,24)30-16-15-28-12-10-26-4/h5-8,23-24H,9-18H2,1-4H3
InChIKeyHTMFLJZVKCTUHR-UHFFFAOYSA-N
XLogP1.50
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol with MolForge

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Related Compounds

ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383
2-(4-tert-butylphenyl)-1-methoxypropan-2-ol
CID 62550666
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-2-ol
CID 176872926
2-(4-ethylphenyl)-4-methoxybutan-2-ol
CID 62543730
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol
CID 19825439
1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66038264
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
[1-iodo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propan-2-yl]benzene
CID 114775088
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
1-(4-tert-butylphenyl)-4-methoxybutan-2-one
CID 62619886

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The IUPAC name of 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol (CID 155649044) is 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The canonical SMILES for 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol is COCCOCCOCC(C)(O)c1ccc(CC(C)(O)OCCOCCOC)cc1.
What is the InChIKey of 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
The InChIKey is HTMFLJZVKCTUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O8/c1-21(23,18-29-14-13-27-11-9-25-3)20-7-5-19(6-8-20)17-22(2,24)30-16-15-28-12-10-26-4/h5-8,23-24H,9-18H2,1-4H3.
What are the key properties of 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol?
1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol has a molecular weight of 430.54 g/mol, XLogP of 1.50, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-[2-(2-methoxyethoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 155649044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).