4-(4-tert-butylphenyl)-1-phenylbutan-1-ol

C20H26O — CID 64513068

IUPAC4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
SMILESCC(C)(C)c1ccc(CCCC(O)c2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-20(2,3)18-14-12-16(13-15-18)8-7-11-19(21)17-9-5-4-6-10-17/h4-6,9-10,12-15,19,21H,7-8,11H2,1-3H3
InChIKeyQSDHIQURVMXISP-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.04
Rot. Bonds5

About 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol

4-(4-tert-butylphenyl)-1-phenylbutan-1-ol (PubChem CID 64513068) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
PubChem CID64513068
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
SMILESCC(C)(C)c1ccc(CCCC(O)c2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-20(2,3)18-14-12-16(13-15-18)8-7-11-19(21)17-9-5-4-6-10-17/h4-6,9-10,12-15,19,21H,7-8,11H2,1-3H3
InChIKeyQSDHIQURVMXISP-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 158011051
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
4-(1-hydroxy-4-phenylbutyl)benzoic acid
CID 14816598
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
3-(4-tert-butylphenyl)-1-phenylpropane-1,2-diol
CID 103459420
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
1-(4-bromo-5,5-dimethylhexyl)-4-tert-butylbenzene
CID 64509236
(1S)-1-phenylpentan-1-ol
CID 6992754
(1R)-4-(4-benzhydrylpiperazin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
CID 76965746
6-(4-tert-butylphenyl)-2-methylhexan-3-amine
CID 64504626
1-hydroxy-3-[4-(1-hydroxy-4-phenylbutyl)phenyl]propan-2-one
CID 159570078

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol?
The IUPAC name of 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol (CID 64513068) is 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol is CC(C)(C)c1ccc(CCCC(O)c2ccccc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol?
The InChIKey is QSDHIQURVMXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-20(2,3)18-14-12-16(13-15-18)8-7-11-19(21)17-9-5-4-6-10-17/h4-6,9-10,12-15,19,21H,7-8,11H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol?
4-(4-tert-butylphenyl)-1-phenylbutan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 64513068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).