2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid

C12H15ClO3 — CID 83899428

IUPAC2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
SMILESCCOc1c(C)cc(Cl)cc1C(C)C(=O)O
InChIInChI=1S/C12H15ClO3/c1-4-16-11-7(2)5-9(13)6-10(11)8(3)12(14)15/h5-6,8H,4H2,1-3H3,(H,14,15)
InChIKeyXVCMAHGIZCDLST-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.24
Rot. Bonds4

About 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid

2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid (PubChem CID 83899428) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
PubChem CID83899428
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
SMILESCCOc1c(C)cc(Cl)cc1C(C)C(=O)O
InChIInChI=1S/C12H15ClO3/c1-4-16-11-7(2)5-9(13)6-10(11)8(3)12(14)15/h5-6,8H,4H2,1-3H3,(H,14,15)
InChIKeyXVCMAHGIZCDLST-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927
(Z)-3-(5-chloro-2-ethoxy-3-methylphenyl)prop-2-enoic acid
CID 83969113
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate
CID 106987677
2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117454100
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926918
diethyl 2-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]propanedioate
CID 2266460
2-(3-chloro-5-ethyl-2-methoxyphenyl)propanoic acid
CID 83899438
ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate
CID 70541390
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921
2-(2-ethoxy-3-formylphenyl)propanoic acid
CID 134658416
2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
CID 171005263

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid?
The IUPAC name of 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid (CID 83899428) is 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid is CCOc1c(C)cc(Cl)cc1C(C)C(=O)O.
What is the InChIKey of 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid?
The InChIKey is XVCMAHGIZCDLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-16-11-7(2)5-9(13)6-10(11)8(3)12(14)15/h5-6,8H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid?
2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid has a molecular weight of 242.70 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 83899428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).