3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol

C25H28O — CID 57245226

IUPAC3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
SMILESCC(C)C(O)(Cc1ccc(CCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H28O/c1-20(2)25(26,24-11-7-4-8-12-24)19-23-17-15-22(16-18-23)14-13-21-9-5-3-6-10-21/h3-12,15-18,20,26H,13-14,19H2,1-2H3
InChIKeyBBMASNRQQTXDAJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.56
Rot. Bonds7

About 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol

3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol (PubChem CID 57245226) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
PubChem CID57245226
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
SMILESCC(C)C(O)(Cc1ccc(CCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H28O/c1-20(2)25(26,24-11-7-4-8-12-24)19-23-17-15-22(16-18-23)14-13-21-9-5-3-6-10-21/h3-12,15-18,20,26H,13-14,19H2,1-2H3
InChIKeyBBMASNRQQTXDAJ-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Dicumyl peroxide
CID 6641
p-Cymen-8-ol
CID 14529
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
Benzopinacol
CID 94766
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
1,4-Butanediol, 1,1,4,4-tetraphenyl-
CID 44541
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
(1,1'-Biphenyl)-4-methanol
CID 19186
4,4',4''-Trimethyltrityl alcohol
CID 76733

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol?
The IUPAC name of 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol (CID 57245226) is 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol.
What is the SMILES notation for 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol?
The canonical SMILES for 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol is CC(C)C(O)(Cc1ccc(CCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol?
The InChIKey is BBMASNRQQTXDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c1-20(2)25(26,24-11-7-4-8-12-24)19-23-17-15-22(16-18-23)14-13-21-9-5-3-6-10-21/h3-12,15-18,20,26H,13-14,19H2,1-2H3.
What are the key properties of 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol?
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol has a molecular weight of 344.50 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol is sourced from PubChem (CID 57245226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).