methyl 3-(5-chloro-2-phenoxyphenyl)propanoate

C16H15ClO3 — CID 70289797

IUPACmethyl 3-(5-chloro-2-phenoxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C16H15ClO3/c1-19-16(18)10-7-12-11-13(17)8-9-15(12)20-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10H2,1H3
InChIKeyOOSGNUCNUZDROH-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.24
Rot. Bonds5

About methyl 3-(5-chloro-2-phenoxyphenyl)propanoate

methyl 3-(5-chloro-2-phenoxyphenyl)propanoate (PubChem CID 70289797) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 3-(5-chloro-2-phenoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-2-phenoxyphenyl)propanoate
PubChem CID70289797
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-(5-chloro-2-phenoxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C16H15ClO3/c1-19-16(18)10-7-12-11-13(17)8-9-15(12)20-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10H2,1H3
InChIKeyOOSGNUCNUZDROH-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
CID 82552125
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 2-(5-methyl-2-phenoxyphenyl)acetate
CID 158548362
methyl 4-(4-fluoro-3-phenoxyphenyl)butanoate
CID 150135778
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(dimethylamino)propanoic acid
CID 100554122
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-propoxypropanoic acid
CID 100550485
methyl 5-chloro-2-(3-phenylpropanoyloxy)benzoate
CID 40567370

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-2-phenoxyphenyl)propanoate?
The IUPAC name of methyl 3-(5-chloro-2-phenoxyphenyl)propanoate (CID 70289797) is methyl 3-(5-chloro-2-phenoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(5-chloro-2-phenoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(5-chloro-2-phenoxyphenyl)propanoate is COC(=O)CCc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of methyl 3-(5-chloro-2-phenoxyphenyl)propanoate?
The InChIKey is OOSGNUCNUZDROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-16(18)10-7-12-11-13(17)8-9-15(12)20-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10H2,1H3.
What are the key properties of methyl 3-(5-chloro-2-phenoxyphenyl)propanoate?
methyl 3-(5-chloro-2-phenoxyphenyl)propanoate has a molecular weight of 290.75 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-2-phenoxyphenyl)propanoate is sourced from PubChem (CID 70289797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).