2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C14H19ClO3 — CID 112590790

IUPAC2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO3/c1-14(2,3)18-9-8-12(13(16)17)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyPXLWXFPTVCGJQP-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 112590790) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID112590790
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO3/c1-14(2,3)18-9-8-12(13(16)17)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyPXLWXFPTVCGJQP-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590791
2-(4-chlorophenyl)-4-ethoxybutanoic acid
CID 79440541
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
2-(4-chlorophenyl)-4-ethylsulfonylbutanoic acid
CID 79434809
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591582
(2R)-2-(4-chlorophenyl)-4-[di(propan-2-yl)amino]butanoic acid
CID 27281938
(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
CID 10538158
2-(4-chlorophenyl)-6,6-dimethylhept-4-ynoic acid
CID 114190066
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid
CID 79430529
2-(4-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)amino]propanoic acid
CID 68626161

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 112590790) is 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid is CC(C)(C)OCCC(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is PXLWXFPTVCGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-14(2,3)18-9-8-12(13(16)17)10-4-6-11(15)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 270.76 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 112590790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).