3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione

C37H42F6N2O7 — CID 89151984

IUPAC3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OCc3cc(O)cc(OC)c3)cc2)C1=O
InChIInChI=1S/C37H42F6N2O7/c1-5-9-24-19-27(35(49,36(38,39)40)37(41,42)43)20-25(10-6-2)31(24)51-16-8-7-15-45-32(47)34(3,44-33(45)48)26-11-13-29(14-12-26)52-22-23-17-28(46)21-30(18-23)50-4/h11-14,17-21,46,49H,5-10,15-16,22H2,1-4H3,(H,44,48)
InChIKeyVYNOANYOHYDLHG-UHFFFAOYSA-N
MW740.74 g/mol
LogP7.82
Rot. Bonds16

About 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione

3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 89151984) has the molecular formula C37H42F6N2O7 and a molecular weight of 740.74 g/mol. Its IUPAC name is 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID89151984
Molecular FormulaC37H42F6N2O7
Molecular Weight740.74 g/mol
Exact Mass740.29
IUPAC Name3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OCc3cc(O)cc(OC)c3)cc2)C1=O
InChIInChI=1S/C37H42F6N2O7/c1-5-9-24-19-27(35(49,36(38,39)40)37(41,42)43)20-25(10-6-2)31(24)51-16-8-7-15-45-32(47)34(3,44-33(45)48)26-11-13-29(14-12-26)52-22-23-17-28(46)21-30(18-23)50-4/h11-14,17-21,46,49H,5-10,15-16,22H2,1-4H3,(H,44,48)
InChIKeyVYNOANYOHYDLHG-UHFFFAOYSA-N
XLogP7.82
TPSA117.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.74
LogP ≤ 57.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione (CID 89151984) is 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCCCCN1C(=O)NC(C)(c2ccc(OCc3cc(O)cc(OC)c3)cc2)C1=O.
What is the InChIKey of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is VYNOANYOHYDLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42F6N2O7/c1-5-9-24-19-27(35(49,36(38,39)40)37(41,42)43)20-25(10-6-2)31(24)51-16-8-7-15-45-32(47)34(3,44-33(45)48)26-11-13-29(14-12-26)52-22-23-17-28(46)21-30(18-23)50-4/h11-14,17-21,46,49H,5-10,15-16,22H2,1-4H3,(H,44,48).
What are the key properties of 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione?
3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 740.74 g/mol, XLogP of 7.82, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]butyl]-5-[4-[(3-hydroxy-5-methoxyphenyl)methoxy]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 89151984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).