2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid

C14H16Cl2O3 — CID 142974376

IUPAC2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid
SMILESO=C(O)C(CC1CCCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2O3/c15-9-4-5-11(13(16)7-9)12(14(17)18)8-10-3-1-2-6-19-10/h4-5,7,10,12H,1-3,6,8H2,(H,17,18)
InChIKeyNUFCTLGVVNZKLF-UHFFFAOYSA-N
MW303.18 g/mol
LogP4.12
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid

2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid (PubChem CID 142974376) has the molecular formula C14H16Cl2O3 and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid
PubChem CID142974376
Molecular FormulaC14H16Cl2O3
Molecular Weight303.18 g/mol
Exact Mass302.05
IUPAC Name2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid
SMILESO=C(O)C(CC1CCCCO1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2O3/c15-9-4-5-11(13(16)7-9)12(14(17)18)8-10-3-1-2-6-19-10/h4-5,7,10,12H,1-3,6,8H2,(H,17,18)
InChIKeyNUFCTLGVVNZKLF-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51934800
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
2-[[[1-(2,4-dichlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037829
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018764
2-(2,4-dichlorophenyl)-4-methylpent-4-enoic acid
CID 84752989
[1-(5-chloro-2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267580
4-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495939
2-(4-methylsulfanylphenyl)-3-[(2R)-oxolan-2-yl]propanoic acid
CID 21051842

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid (CID 142974376) is 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid is O=C(O)C(CC1CCCCO1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid?
The InChIKey is NUFCTLGVVNZKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O3/c15-9-4-5-11(13(16)7-9)12(14(17)18)8-10-3-1-2-6-19-10/h4-5,7,10,12H,1-3,6,8H2,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid?
2-(2,4-dichlorophenyl)-3-(oxan-2-yl)propanoic acid has a molecular weight of 303.18 g/mol, XLogP of 4.12, 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-(oxan-2-yl)propanoic acid is sourced from PubChem (CID 142974376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).