(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal

C19H20BrClO2 — CID 122634703

IUPAC(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
SMILESCCO[C@H](CC=O)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrClO2/c1-2-23-19(11-12-22)18(15-5-7-16(20)8-6-15)13-14-3-9-17(21)10-4-14/h3-10,12,18-19H,2,11,13H2,1H3/t18?,19-/m1/s1
InChIKeyLUZONZCLSAEABQ-MUMRKEEXSA-N
MW395.72 g/mol
LogP5.42
Rot. Bonds8

About (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal

(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal (PubChem CID 122634703) has the molecular formula C19H20BrClO2 and a molecular weight of 395.72 g/mol. Its IUPAC name is (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal.

Molecular Properties

Compound Name(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
PubChem CID122634703
Molecular FormulaC19H20BrClO2
Molecular Weight395.72 g/mol
Exact Mass394.03
IUPAC Name(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
SMILESCCO[C@H](CC=O)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrClO2/c1-2-23-19(11-12-22)18(15-5-7-16(20)8-6-15)13-14-3-9-17(21)10-4-14/h3-10,12,18-19H,2,11,13H2,1H3/t18?,19-/m1/s1
InChIKeyLUZONZCLSAEABQ-MUMRKEEXSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal
CID 145170937
1-bromo-4-[(2R)-1-(4-chlorophenyl)-3-ethoxyhex-5-en-2-yl]benzene
CID 145171014
3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 19073662
potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide
CID 122623391
(3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol
CID 122634711
1-(4-bromophenyl)-3-ethoxypentan-2-amine
CID 116716310
5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
CID 163539711
1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
CID 82806329
tert-butyl 4-[[4-[(2R,3R)-1-(4-chlorophenyl)-3-ethoxy-5-(hydroxyamino)-5-oxopentan-2-yl]phenyl]methyl]piperazine-1-carboxylate
CID 122623402
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
CID 2313752

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal?
The IUPAC name of (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal (CID 122634703) is (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal.
What is the SMILES notation for (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal?
The canonical SMILES for (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal is CCO[C@H](CC=O)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal?
The InChIKey is LUZONZCLSAEABQ-MUMRKEEXSA-N. The full InChI is InChI=1S/C19H20BrClO2/c1-2-23-19(11-12-22)18(15-5-7-16(20)8-6-15)13-14-3-9-17(21)10-4-14/h3-10,12,18-19H,2,11,13H2,1H3/t18?,19-/m1/s1.
What are the key properties of (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal?
(3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal has a molecular weight of 395.72 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-bromophenyl)-5-(4-chlorophenyl)-3-ethoxypentanal is sourced from PubChem (CID 122634703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).