[4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol

C27H25Cl2NO4 — CID 150485180

IUPAC[4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2ccc(CO)cc2)cc1
InChIInChI=1S/C27H25Cl2NO4/c1-17(2)27-22(26(30-34-27)25-23(28)4-3-5-24(25)29)16-33-21-12-8-19(9-13-21)15-32-20-10-6-18(14-31)7-11-20/h3-13,17,31H,14-16H2,1-2H3
InChIKeyHUQIHQCXSDSJOM-UHFFFAOYSA-N
MW498.41 g/mol
LogP7.42
Rot. Bonds9

About [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol

[4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol (PubChem CID 150485180) has the molecular formula C27H25Cl2NO4 and a molecular weight of 498.41 g/mol. Its IUPAC name is [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol
PubChem CID150485180
Molecular FormulaC27H25Cl2NO4
Molecular Weight498.41 g/mol
Exact Mass497.12
IUPAC Name[4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2ccc(CO)cc2)cc1
InChIInChI=1S/C27H25Cl2NO4/c1-17(2)27-22(26(30-34-27)25-23(28)4-3-5-24(25)29)16-33-21-12-8-19(9-13-21)15-32-20-10-6-18(14-31)7-11-20/h3-13,17,31H,14-16H2,1-2H3
InChIKeyHUQIHQCXSDSJOM-UHFFFAOYSA-N
XLogP7.42
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.41
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol?
The IUPAC name of [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol (CID 150485180) is [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol?
The InChIKey is HUQIHQCXSDSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2NO4/c1-17(2)27-22(26(30-34-27)25-23(28)4-3-5-24(25)29)16-33-21-12-8-19(9-13-21)15-32-20-10-6-18(14-31)7-11-20/h3-13,17,31H,14-16H2,1-2H3.
What are the key properties of [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol?
[4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol has a molecular weight of 498.41 g/mol, XLogP of 7.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 150485180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).