(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol

C19H20Cl2O — CID 160646296

IUPAC(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol
SMILESO[C@@H](c1cccc(Cl)c1)[C@@H](CCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2O/c20-16-9-7-14(8-10-16)18(11-6-13-4-5-13)19(22)15-2-1-3-17(21)12-15/h1-3,7-10,12-13,18-19,22H,4-6,11H2/t18-,19-/m0/s1
InChIKeyHZXRIUYRPXCRDA-OALUTQOASA-N
MW335.27 g/mol
LogP6.00
Rot. Bonds6

About (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol

(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol (PubChem CID 160646296) has the molecular formula C19H20Cl2O and a molecular weight of 335.27 g/mol. Its IUPAC name is (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol
PubChem CID160646296
Molecular FormulaC19H20Cl2O
Molecular Weight335.27 g/mol
Exact Mass334.09
IUPAC Name(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol
SMILESO[C@@H](c1cccc(Cl)c1)[C@@H](CCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2O/c20-16-9-7-14(8-10-16)18(11-6-13-4-5-13)19(22)15-2-1-3-17(21)12-15/h1-3,7-10,12-13,18-19,22H,4-6,11H2/t18-,19-/m0/s1
InChIKeyHZXRIUYRPXCRDA-OALUTQOASA-N
XLogP6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.27
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol?
The IUPAC name of (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol (CID 160646296) is (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol.
What is the SMILES notation for (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol?
The canonical SMILES for (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol is O[C@@H](c1cccc(Cl)c1)[C@@H](CCC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol?
The InChIKey is HZXRIUYRPXCRDA-OALUTQOASA-N. The full InChI is InChI=1S/C19H20Cl2O/c20-16-9-7-14(8-10-16)18(11-6-13-4-5-13)19(22)15-2-1-3-17(21)12-15/h1-3,7-10,12-13,18-19,22H,4-6,11H2/t18-,19-/m0/s1.
What are the key properties of (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol?
(1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol has a molecular weight of 335.27 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-4-cyclopropylbutan-1-ol is sourced from PubChem (CID 160646296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).