3-(3,5-dichlorophenyl)pentanedioic acid

C11H10Cl2O4 — CID 10678120

IUPAC3-(3,5-dichlorophenyl)pentanedioic acid
SMILESO=C(O)CC(CC(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2O4/c12-8-1-6(2-9(13)5-8)7(3-10(14)15)4-11(16)17/h1-2,5,7H,3-4H2,(H,14,15)(H,16,17)
InChIKeyBEDBNTBAQDZKBG-UHFFFAOYSA-N
MW277.10 g/mol
LogP3.03
Rot. Bonds5

About 3-(3,5-dichlorophenyl)pentanedioic acid

3-(3,5-dichlorophenyl)pentanedioic acid (PubChem CID 10678120) has the molecular formula C11H10Cl2O4 and a molecular weight of 277.10 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)pentanedioic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)pentanedioic acid
PubChem CID10678120
Molecular FormulaC11H10Cl2O4
Molecular Weight277.10 g/mol
Exact Mass276.00
IUPAC Name3-(3,5-dichlorophenyl)pentanedioic acid
SMILESO=C(O)CC(CC(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2O4/c12-8-1-6(2-9(13)5-8)7(3-10(14)15)4-11(16)17/h1-2,5,7H,3-4H2,(H,14,15)(H,16,17)
InChIKeyBEDBNTBAQDZKBG-UHFFFAOYSA-N
XLogP3.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-3-(3,5-dichlorophenyl)propanoic acid
CID 82294018
3-[(2-aminoacetyl)amino]-3-(3,5-dichlorophenyl)propanoic acid
CID 59080868
sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
CID 132988119
4-amino-3-(5-chloro-3-pyridinyl)butanoic acid
CID 84680612
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
3-(3,5-dichlorophenyl)-5-[2-[4-(1H-imidazol-2-ylamino)butanoyl]hydrazinyl]-5-oxopentanoic acid
CID 70004958
3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526353
(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 44516385
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
3-(3,5-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22608673
3-[[2-amino-2-(3,5-dichlorophenyl)acetyl]amino]-3-(4-chlorophenyl)propanoic acid
CID 58143312
5-(3,5-dichloroanilino)-3-(2,6-dichlorophenyl)-5-oxopentanoic acid
CID 3652661

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)pentanedioic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)pentanedioic acid (CID 10678120) is 3-(3,5-dichlorophenyl)pentanedioic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)pentanedioic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)pentanedioic acid is O=C(O)CC(CC(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)pentanedioic acid?
The InChIKey is BEDBNTBAQDZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O4/c12-8-1-6(2-9(13)5-8)7(3-10(14)15)4-11(16)17/h1-2,5,7H,3-4H2,(H,14,15)(H,16,17).
What are the key properties of 3-(3,5-dichlorophenyl)pentanedioic acid?
3-(3,5-dichlorophenyl)pentanedioic acid has a molecular weight of 277.10 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)pentanedioic acid is sourced from PubChem (CID 10678120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).