(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol

C23H24O — CID 139051359

IUPAC(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
SMILESCC[C@@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C23H24O/c1-3-21(19-13-6-4-7-14-19)23(24,20-15-8-5-9-16-20)22-17-11-10-12-18(22)2/h4-17,21,24H,3H2,1-2H3/t21-,23+/m0/s1
InChIKeyJTLYVALQISPRES-JTHBVZDNSA-N
MW316.44 g/mol
LogP5.42
Rot. Bonds5

About (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol

(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol (PubChem CID 139051359) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
PubChem CID139051359
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
SMILESCC[C@@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C23H24O/c1-3-21(19-13-6-4-7-14-19)23(24,20-15-8-5-9-16-20)22-17-11-10-12-18(22)2/h4-17,21,24H,3H2,1-2H3/t21-,23+/m0/s1
InChIKeyJTLYVALQISPRES-JTHBVZDNSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol 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

(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
CID 20558061
(1S,2R)-3-methyl-1-(2-methylphenyl)-1-phenylbutane-1,2-diol
CID 131848491
1,1,2-triphenylbutylphosphane
CID 19027387
2-(4-hydroxyphenyl)-1-phenylbutane-1,1-diol
CID 150256890
1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol
CID 15527869
sodium;hydride;1,1,2-triphenylbutoxyboronic acid
CID 173273696
4-hydroxy-1,3,4,4-tetraphenylbutan-1-one
CID 91703942
dioxido(1,1,2-triphenylbutoxy)borane;bis(tetraethylazanium)
CID 67933329
[(2-methylphenyl)-diphenylmethyl]phosphane
CID 90111831
(2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol
CID 1120787
8-(1-phenylpropyl)pentadecan-8-ol
CID 134906373

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol?
The IUPAC name of (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol (CID 139051359) is (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol.
What is the SMILES notation for (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol?
The canonical SMILES for (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol is CC[C@@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccccc1C.
What is the InChIKey of (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol?
The InChIKey is JTLYVALQISPRES-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H24O/c1-3-21(19-13-6-4-7-14-19)23(24,20-15-8-5-9-16-20)22-17-11-10-12-18(22)2/h4-17,21,24H,3H2,1-2H3/t21-,23+/m0/s1.
What are the key properties of (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol?
(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol has a molecular weight of 316.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol is sourced from PubChem (CID 139051359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).