2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid

C13H16Cl2O2 — CID 65316987

IUPAC2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid
SMILESCCCC(C)(Cc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16Cl2O2/c1-3-6-13(2,12(16)17)8-9-7-10(14)4-5-11(9)15/h4-5,7H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyVIUPEEKRWVQUBP-UHFFFAOYSA-N
MW275.17 g/mol
LogP4.43
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid

2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid (PubChem CID 65316987) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid
PubChem CID65316987
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid
SMILESCCCC(C)(Cc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16Cl2O2/c1-3-6-13(2,12(16)17)8-9-7-10(14)4-5-11(9)15/h4-5,7H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyVIUPEEKRWVQUBP-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentanoic acid
CID 103047305
2-[(5-chloro-2-nitrophenyl)methyl]-2-methylpentanoic acid
CID 79580228
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentanoic acid
CID 107883005
2-[(2,5-difluorophenyl)methyl]-2-methylpentanoic acid
CID 62740066
3-amino-2-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899867
2-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutanoic acid
CID 102616919
2-[(5-chloro-2-nitrophenyl)methyl]-2-methylbutanoic acid
CID 79580401
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039856
2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
CID 79008245
2-[(3,4-dimethylphenyl)methyl]-2-methylpentanoic acid
CID 62739730
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid (CID 65316987) is 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid is CCCC(C)(Cc1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid?
The InChIKey is VIUPEEKRWVQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-3-6-13(2,12(16)17)8-9-7-10(14)4-5-11(9)15/h4-5,7H,3,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid?
2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid has a molecular weight of 275.17 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid is sourced from PubChem (CID 65316987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).