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

(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
(3-hydroxy-2-methyl-3,4-diphenylbutyl)-dimethylazanium chloride
CID 44723488
(2R,3S)-4-[benzyl(methyl)amino]-3-methyl-1,2-diphenylbutan-2-ol
CID 124808457
1-fluoro-4-methyl-3-phenylpentan-3-ol
CID 156689206
(2S,3R)-3-deuteriooxy-N,N,2-trimethyl-3,4-diphenylbutan-1-amine
CID 87815163
2-amino-1-phenylbutane-2,3-diol
CID 175388454
1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
CID 167979498
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol
CID 46854274
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol
CID 125488024

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).