(2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde

C22H18Cl2O2 — CID 138635031

IUPAC(2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde
SMILESO=C[C@@H](c1ccc(OCCCl)cc1)c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C22H18Cl2O2/c23-13-14-26-17-11-9-16(10-12-17)21(15-25)19-6-2-1-5-18(19)20-7-3-4-8-22(20)24/h1-12,15,21H,13-14H2/t21-/m0/s1
InChIKeyFWYJPVBBAIQRFA-NRFANRHFSA-N
MW385.29 g/mol
LogP5.96
Rot. Bonds7

About (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde

(2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde (PubChem CID 138635031) has the molecular formula C22H18Cl2O2 and a molecular weight of 385.29 g/mol. Its IUPAC name is (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde
PubChem CID138635031
Molecular FormulaC22H18Cl2O2
Molecular Weight385.29 g/mol
Exact Mass384.07
IUPAC Name(2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde
SMILESO=C[C@@H](c1ccc(OCCCl)cc1)c1ccccc1-c1ccccc1Cl
InChIInChI=1S/C22H18Cl2O2/c23-13-14-26-17-11-9-16(10-12-17)21(15-25)19-6-2-1-5-18(19)20-7-3-4-8-22(20)24/h1-12,15,21H,13-14H2/t21-/m0/s1
InChIKeyFWYJPVBBAIQRFA-NRFANRHFSA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde?
The IUPAC name of (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde (CID 138635031) is (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde.
What is the SMILES notation for (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde?
The canonical SMILES for (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde is O=C[C@@H](c1ccc(OCCCl)cc1)c1ccccc1-c1ccccc1Cl.
What is the InChIKey of (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde?
The InChIKey is FWYJPVBBAIQRFA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18Cl2O2/c23-13-14-26-17-11-9-16(10-12-17)21(15-25)19-6-2-1-5-18(19)20-7-3-4-8-22(20)24/h1-12,15,21H,13-14H2/t21-/m0/s1.
What are the key properties of (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde?
(2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde has a molecular weight of 385.29 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-chloroethoxy)phenyl]-2-[2-(2-chlorophenyl)phenyl]acetaldehyde is sourced from PubChem (CID 138635031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).