1,4,4-triphenylbutan-1-ol

C22H22O — CID 141326006

IUPAC1,4,4-triphenylbutan-1-ol
SMILESOC(CCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O/c23-22(20-14-8-3-9-15-20)17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-23H,16-17H2
InChIKeyLJUIQNFXUFZNPG-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.33
Rot. Bonds6

About 1,4,4-triphenylbutan-1-ol

1,4,4-triphenylbutan-1-ol (PubChem CID 141326006) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1,4,4-triphenylbutan-1-ol.

Molecular Properties

Compound Name1,4,4-triphenylbutan-1-ol
PubChem CID141326006
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name1,4,4-triphenylbutan-1-ol
SMILESOC(CCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O/c23-22(20-14-8-3-9-15-20)17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-23H,16-17H2
InChIKeyLJUIQNFXUFZNPG-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-1-phenylpentane-1,4-diol
CID 13204353
1-phenylpropane-1,3-diol
CID 572059
5-phenylpentane-1,2,5-triol
CID 82849671
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
(1S)-1-phenylpentan-1-ol
CID 6992754
5,5,5-trifluoro-1-phenylpentane-1,4-diol
CID 79423436
5-chloro-1-phenylpentan-1-ol
CID 14449235
5-bromo-1-phenylpentan-1-ol
CID 121216668
[(3R)-3-hydroxy-3-phenylpropyl]boronic acid
CID 55255593

Frequently Asked Questions

What is the IUPAC name of 1,4,4-triphenylbutan-1-ol?
The IUPAC name of 1,4,4-triphenylbutan-1-ol (CID 141326006) is 1,4,4-triphenylbutan-1-ol.
What is the SMILES notation for 1,4,4-triphenylbutan-1-ol?
The canonical SMILES for 1,4,4-triphenylbutan-1-ol is OC(CCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4,4-triphenylbutan-1-ol?
The InChIKey is LJUIQNFXUFZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c23-22(20-14-8-3-9-15-20)17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21-23H,16-17H2.
What are the key properties of 1,4,4-triphenylbutan-1-ol?
1,4,4-triphenylbutan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-triphenylbutan-1-ol is sourced from PubChem (CID 141326006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).