1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol

C20H26O2 — CID 126511396

IUPAC1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(-c2ccc(CC(C)(C)O)cc2)cc1
InChIInChI=1S/C20H26O2/c1-19(2,21)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3,4)22/h5-12,21-22H,13-14H2,1-4H3
InChIKeyKJPLXYYGEYRMDP-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.98
Rot. Bonds5

About 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol

1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol (PubChem CID 126511396) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
PubChem CID126511396
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(-c2ccc(CC(C)(C)O)cc2)cc1
InChIInChI=1S/C20H26O2/c1-19(2,21)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3,4)22/h5-12,21-22H,13-14H2,1-4H3
InChIKeyKJPLXYYGEYRMDP-UHFFFAOYSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxy-2-methylpropyl)benzaldehyde
CID 105437566
1-[4-(2,2-dihydroxypropyl)phenyl]propane-2,2-diol
CID 19697324
2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol
CID 19066239
2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol
CID 91068472
1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol
CID 116928680
1-[4-(4-aminobutyl)phenyl]-2-methylpropan-2-ol
CID 117115615
1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117117351
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
1-[4-[4-(5,6-diamino-3-chloro-2-pyridinyl)phenyl]phenyl]-2-methylpropan-2-ol
CID 138509029
1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
CID 117115386
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
3-[4-(2-hydroxy-2-methylpropyl)phenyl]-2-methylpropanoic acid
CID 115112809

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol (CID 126511396) is 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(-c2ccc(CC(C)(C)O)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol?
The InChIKey is KJPLXYYGEYRMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-19(2,21)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3,4)22/h5-12,21-22H,13-14H2,1-4H3.
What are the key properties of 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol?
1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol has a molecular weight of 298.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 126511396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).