2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid

C14H12Cl2O3 — CID 117048521

IUPAC2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccco1)(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2O3/c1-14(13(17)18,8-10-3-2-6-19-10)11-5-4-9(15)7-12(11)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyLUSUBYRSQPJVNF-UHFFFAOYSA-N
MW299.15 g/mol
LogP4.17
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid

2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid (PubChem CID 117048521) has the molecular formula C14H12Cl2O3 and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
PubChem CID117048521
Molecular FormulaC14H12Cl2O3
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccco1)(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2O3/c1-14(13(17)18,8-10-3-2-6-19-10)11-5-4-9(15)7-12(11)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyLUSUBYRSQPJVNF-UHFFFAOYSA-N
XLogP4.17
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048514
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048305
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048527
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride
CID 117048691
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
2,2-bis(furan-2-ylmethyl)pentanoic acid
CID 174666609
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 99872764

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid (CID 117048521) is 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid is CC(Cc1ccco1)(C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid?
The InChIKey is LUSUBYRSQPJVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3/c1-14(13(17)18,8-10-3-2-6-19-10)11-5-4-9(15)7-12(11)16/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid?
2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid has a molecular weight of 299.15 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117048521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).