(2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol

C22H20Cl2O — CID 135056079

IUPAC(2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol
SMILESC[C@@](CO)(c1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2O/c1-22(15-25,18-5-3-2-4-6-18)21(16-7-11-19(23)12-8-16)17-9-13-20(24)14-10-17/h2-14,21,25H,15H2,1H3/t22-/m1/s1
InChIKeyFYKHMTOLVWBTSZ-JOCHJYFZSA-N
MW371.31 g/mol
LogP6.08
Rot. Bonds5

About (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol

(2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol (PubChem CID 135056079) has the molecular formula C22H20Cl2O and a molecular weight of 371.31 g/mol. Its IUPAC name is (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol
PubChem CID135056079
Molecular FormulaC22H20Cl2O
Molecular Weight371.31 g/mol
Exact Mass370.09
IUPAC Name(2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol
SMILESC[C@@](CO)(c1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2O/c1-22(15-25,18-5-3-2-4-6-18)21(16-7-11-19(23)12-8-16)17-9-13-20(24)14-10-17/h2-14,21,25H,15H2,1H3/t22-/m1/s1
InChIKeyFYKHMTOLVWBTSZ-JOCHJYFZSA-N
XLogP6.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol?
The IUPAC name of (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol (CID 135056079) is (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol.
What is the SMILES notation for (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol?
The canonical SMILES for (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol is C[C@@](CO)(c1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol?
The InChIKey is FYKHMTOLVWBTSZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20Cl2O/c1-22(15-25,18-5-3-2-4-6-18)21(16-7-11-19(23)12-8-16)17-9-13-20(24)14-10-17/h2-14,21,25H,15H2,1H3/t22-/m1/s1.
What are the key properties of (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol?
(2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol has a molecular weight of 371.31 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-bis(4-chlorophenyl)-2-methyl-2-phenylpropan-1-ol is sourced from PubChem (CID 135056079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).