3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid

C16H15ClO3 — CID 83952241

IUPAC3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO3/c17-15-7-2-1-5-13(15)11-20-14-6-3-4-12(10-14)8-9-16(18)19/h1-7,10H,8-9,11H2,(H,18,19)
InChIKeyFXQNJPCCWFNOPC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.94
Rot. Bonds6

About 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid

3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid (PubChem CID 83952241) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
PubChem CID83952241
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO3/c17-15-7-2-1-5-13(15)11-20-14-6-3-4-12(10-14)8-9-16(18)19/h1-7,10H,8-9,11H2,(H,18,19)
InChIKeyFXQNJPCCWFNOPC-UHFFFAOYSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527638
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
[4-[(2-chlorophenyl)methoxy]phenyl]methanamine;oxalic acid
CID 122170235
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid (CID 83952241) is 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid is O=C(O)CCc1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid?
The InChIKey is FXQNJPCCWFNOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c17-15-7-2-1-5-13(15)11-20-14-6-3-4-12(10-14)8-9-16(18)19/h1-7,10H,8-9,11H2,(H,18,19).
What are the key properties of 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid?
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 83952241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).