3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol

C25H36O4 — CID 142891336

IUPAC3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
SMILESCC(C)(CCO)Oc1ccc(C(C)(C)c2ccc(OC(C)(C)CCO)cc2)cc1
InChIInChI=1S/C25H36O4/c1-23(2,15-17-26)28-21-11-7-19(8-12-21)25(5,6)20-9-13-22(14-10-20)29-24(3,4)16-18-27/h7-14,26-27H,15-18H2,1-6H3
InChIKeyOZQDZMPTNVSHLC-UHFFFAOYSA-N
MW400.56 g/mol
LogP5.09
Rot. Bonds10

About 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol

3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol (PubChem CID 142891336) has the molecular formula C25H36O4 and a molecular weight of 400.56 g/mol. Its IUPAC name is 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
PubChem CID142891336
Molecular FormulaC25H36O4
Molecular Weight400.56 g/mol
Exact Mass400.26
IUPAC Name3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
SMILESCC(C)(CCO)Oc1ccc(C(C)(C)c2ccc(OC(C)(C)CCO)cc2)cc1
InChIInChI=1S/C25H36O4/c1-23(2,15-17-26)28-21-11-7-19(8-12-21)25(5,6)20-9-13-22(14-10-20)29-24(3,4)16-18-27/h7-14,26-27H,15-18H2,1-6H3
InChIKeyOZQDZMPTNVSHLC-UHFFFAOYSA-N
XLogP5.09
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol with MolForge

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Related Compounds

3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol
CID 139638560
3-methyl-3-phenoxybutan-1-ol
CID 59317089
3-methyl-3-pyridin-4-yloxybutan-1-ol
CID 139639068
3-methyl-3-(4-methylsulfonylphenoxy)butan-1-ol
CID 139638640
N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 134534514
N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide
CID 139639198
methyl 4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfonate
CID 139638904
3-(4-ethylsulfinylphenoxy)-3-methylbutan-1-ol
CID 139639259
1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene
CID 126583716
1-(1,1-dibromopropoxy)-4-[2-[4-(1,1-dibromopropoxy)phenyl]propan-2-yl]benzene
CID 67068398
3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol
CID 167255420
2,4-dimethyl-4-[3-methyl-3-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]butoxy]pent-1-en-3-one;ethane
CID 142098773

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol?
The IUPAC name of 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol (CID 142891336) is 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol?
The canonical SMILES for 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol is CC(C)(CCO)Oc1ccc(C(C)(C)c2ccc(OC(C)(C)CCO)cc2)cc1.
What is the InChIKey of 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol?
The InChIKey is OZQDZMPTNVSHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O4/c1-23(2,15-17-26)28-21-11-7-19(8-12-21)25(5,6)20-9-13-22(14-10-20)29-24(3,4)16-18-27/h7-14,26-27H,15-18H2,1-6H3.
What are the key properties of 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol?
3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol has a molecular weight of 400.56 g/mol, XLogP of 5.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol is sourced from PubChem (CID 142891336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).