3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid

C27H22Cl2GeO2 — CID 15180323

IUPAC3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid
SMILESO=C(O)CC(c1ccc(Cl)cc1Cl)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22Cl2GeO2/c28-20-16-17-24(25(29)18-20)26(19-27(31)32)30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18,26H,19H2,(H,31,32)
InChIKeyUMTSVBNXDDHERB-UHFFFAOYSA-N
MW521.99 g/mol
LogP5.26
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid

3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid (PubChem CID 15180323) has the molecular formula C27H22Cl2GeO2 and a molecular weight of 521.99 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid
PubChem CID15180323
Molecular FormulaC27H22Cl2GeO2
Molecular Weight521.99 g/mol
Exact Mass522.02
IUPAC Name3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid
SMILESO=C(O)CC(c1ccc(Cl)cc1Cl)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22Cl2GeO2/c28-20-16-17-24(25(29)18-20)26(19-27(31)32)30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18,26H,19H2,(H,31,32)
InChIKeyUMTSVBNXDDHERB-UHFFFAOYSA-N
XLogP5.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.99
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
CID 92982599
3-(4-chloro-2-methylphenyl)pentanedioic acid
CID 66759290
3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
CID 104880183
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 102173737
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61184371
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid (CID 15180323) is 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid is O=C(O)CC(c1ccc(Cl)cc1Cl)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid?
The InChIKey is UMTSVBNXDDHERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2GeO2/c28-20-16-17-24(25(29)18-20)26(19-27(31)32)30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18,26H,19H2,(H,31,32).
What are the key properties of 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid?
3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid has a molecular weight of 521.99 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid is sourced from PubChem (CID 15180323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).