2-(5-chloro-2-propan-2-ylphenyl)butanoic acid

C13H17ClO2 — CID 84800690

IUPAC2-(5-chloro-2-propan-2-ylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(Cl)ccc1C(C)C
InChIInChI=1S/C13H17ClO2/c1-4-10(13(15)16)12-7-9(14)5-6-11(12)8(2)3/h5-8,10H,4H2,1-3H3,(H,15,16)
InChIKeyFLZUQRSPSXQIRG-UHFFFAOYSA-N
MW240.73 g/mol
LogP4.04
Rot. Bonds4

About 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid

2-(5-chloro-2-propan-2-ylphenyl)butanoic acid (PubChem CID 84800690) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(5-chloro-2-propan-2-ylphenyl)butanoic acid
PubChem CID84800690
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-(5-chloro-2-propan-2-ylphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(Cl)ccc1C(C)C
InChIInChI=1S/C13H17ClO2/c1-4-10(13(15)16)12-7-9(14)5-6-11(12)8(2)3/h5-8,10H,4H2,1-3H3,(H,15,16)
InChIKeyFLZUQRSPSXQIRG-UHFFFAOYSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-4-propan-2-ylphenyl)butanoic acid
CID 84789733
2-(butan-2-ylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
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2-amino-2-(5-chloro-2-propan-2-ylphenyl)ethanol
CID 84680049
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234
2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
2-(5-chloro-2-fluorophenyl)butanedioic acid
CID 165450975
3-(5-chloro-2-propan-2-ylphenyl)butanal
CID 117322645
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]butanoic acid
CID 64661973
2-(2,4-dichlorophenyl)-4-methylpent-4-enoic acid
CID 84752989
2-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 79441149
2-[2-(bromomethyl)-5-chlorophenyl]propanoic acid
CID 25169539

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid (CID 84800690) is 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid is CCC(C(=O)O)c1cc(Cl)ccc1C(C)C.
What is the InChIKey of 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid?
The InChIKey is FLZUQRSPSXQIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-4-10(13(15)16)12-7-9(14)5-6-11(12)8(2)3/h5-8,10H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid?
2-(5-chloro-2-propan-2-ylphenyl)butanoic acid has a molecular weight of 240.73 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 84800690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).