[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol

C31H32O3 — CID 143948500

IUPAC[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol
SMILESCC(C)(C)c1ccc(Cc2ccc(OCc3ccc(Oc4ccc(CO)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H32O3/c1-31(2,3)27-12-4-23(5-13-27)20-24-6-14-28(15-7-24)33-22-26-10-18-30(19-11-26)34-29-16-8-25(21-32)9-17-29/h4-19,32H,20-22H2,1-3H3
InChIKeyXAOGZTWEKDBGHY-UHFFFAOYSA-N
MW452.59 g/mol
LogP7.44
Rot. Bonds8

About [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol

[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol (PubChem CID 143948500) has the molecular formula C31H32O3 and a molecular weight of 452.59 g/mol. Its IUPAC name is [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol
PubChem CID143948500
Molecular FormulaC31H32O3
Molecular Weight452.59 g/mol
Exact Mass452.24
IUPAC Name[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol
SMILESCC(C)(C)c1ccc(Cc2ccc(OCc3ccc(Oc4ccc(CO)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H32O3/c1-31(2,3)27-12-4-23(5-13-27)20-24-6-14-28(15-7-24)33-22-26-10-18-30(19-11-26)34-29-16-8-25(21-32)9-17-29/h4-19,32H,20-22H2,1-3H3
InChIKeyXAOGZTWEKDBGHY-UHFFFAOYSA-N
XLogP7.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.59
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol?
The IUPAC name of [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol (CID 143948500) is [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol?
The canonical SMILES for [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol is CC(C)(C)c1ccc(Cc2ccc(OCc3ccc(Oc4ccc(CO)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol?
The InChIKey is XAOGZTWEKDBGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O3/c1-31(2,3)27-12-4-23(5-13-27)20-24-6-14-28(15-7-24)33-22-26-10-18-30(19-11-26)34-29-16-8-25(21-32)9-17-29/h4-19,32H,20-22H2,1-3H3.
What are the key properties of [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol?
[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol has a molecular weight of 452.59 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol is sourced from PubChem (CID 143948500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).