2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid

C13H15ClO3 — CID 117390072

IUPAC2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(Cl)c1OCC1CC1
InChIInChI=1S/C13H15ClO3/c1-8(13(15)16)10-3-2-4-11(14)12(10)17-7-9-5-6-9/h2-4,8-9H,5-7H2,1H3,(H,15,16)
InChIKeyLXCGTYXGBYTEPN-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.32
Rot. Bonds5

About 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid

2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid (PubChem CID 117390072) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
PubChem CID117390072
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(Cl)c1OCC1CC1
InChIInChI=1S/C13H15ClO3/c1-8(13(15)16)10-3-2-4-11(14)12(10)17-7-9-5-6-9/h2-4,8-9H,5-7H2,1H3,(H,15,16)
InChIKeyLXCGTYXGBYTEPN-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
CID 117387783
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
CID 86847227
2-[3-bromo-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117498299
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117340664
2-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]propanoic acid
CID 117458340
1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117418708
2-[2-[(2-chlorophenyl)methyl]phenyl]propanoic acid
CID 59987709
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117472618
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
(E)-3-[3-chloro-2-(cyclopropylmethoxymethoxy)phenyl]prop-2-enoic acid
CID 106929952

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid?
The IUPAC name of 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid (CID 117390072) is 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid is CC(C(=O)O)c1cccc(Cl)c1OCC1CC1.
What is the InChIKey of 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid?
The InChIKey is LXCGTYXGBYTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-8(13(15)16)10-3-2-4-11(14)12(10)17-7-9-5-6-9/h2-4,8-9H,5-7H2,1H3,(H,15,16).
What are the key properties of 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid?
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid has a molecular weight of 254.71 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 117390072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).