(2-tert-butylphenyl)-diphenylmethanol

C23H24O — CID 139660969

IUPAC(2-tert-butylphenyl)-diphenylmethanol
SMILESCC(C)(C)c1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O/c1-22(2,3)20-16-10-11-17-21(20)23(24,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17,24H,1-3H3
InChIKeyMKSGSIGYIWRJIO-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.27
Rot. Bonds3

About (2-tert-butylphenyl)-diphenylmethanol

(2-tert-butylphenyl)-diphenylmethanol (PubChem CID 139660969) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is (2-tert-butylphenyl)-diphenylmethanol.

Molecular Properties

Compound Name(2-tert-butylphenyl)-diphenylmethanol
PubChem CID139660969
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name(2-tert-butylphenyl)-diphenylmethanol
SMILESCC(C)(C)c1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O/c1-22(2,3)20-16-10-11-17-21(20)23(24,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17,24H,1-3H3
InChIKeyMKSGSIGYIWRJIO-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2-tert-butylphenyl)-diphenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(1,2-ditert-butylbenzene);methanol
CID 175055057
CID 175472927
CID 175472927
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
4-tert-butyl-2-[5-tert-butyl-2-hydroxy-3-[hydroxy(diphenyl)methyl]phenyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 122373316
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511
CID 119080975
CID 119080975
sodium;hydride;triphenylmethanol
CID 174537383
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641
CID 171375456
CID 171375456
bis[2-(dimethylamino)phenyl]-phenylmethanol
CID 18702748
diphenyl-(2,3,4-trimethylphenyl)methanol
CID 139685459
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-diphenylmethanol?
The IUPAC name of (2-tert-butylphenyl)-diphenylmethanol (CID 139660969) is (2-tert-butylphenyl)-diphenylmethanol.
What is the SMILES notation for (2-tert-butylphenyl)-diphenylmethanol?
The canonical SMILES for (2-tert-butylphenyl)-diphenylmethanol is CC(C)(C)c1ccccc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-tert-butylphenyl)-diphenylmethanol?
The InChIKey is MKSGSIGYIWRJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-22(2,3)20-16-10-11-17-21(20)23(24,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17,24H,1-3H3.
What are the key properties of (2-tert-butylphenyl)-diphenylmethanol?
(2-tert-butylphenyl)-diphenylmethanol has a molecular weight of 316.44 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-diphenylmethanol is sourced from PubChem (CID 139660969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).