methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate

C16H13FO3 — CID 176548334

IUPACmethyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate
SMILESCOC(=O)Cc1cc(-c2cccc(C=O)c2)ccc1F
InChIInChI=1S/C16H13FO3/c1-20-16(19)9-14-8-13(5-6-15(14)17)12-4-2-3-11(7-12)10-18/h2-8,10H,9H2,1H3
InChIKeyWZAUYXIMMNTPLU-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.02
Rot. Bonds4

About methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate

methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate (PubChem CID 176548334) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate
PubChem CID176548334
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate
SMILESCOC(=O)Cc1cc(-c2cccc(C=O)c2)ccc1F
InChIInChI=1S/C16H13FO3/c1-20-16(19)9-14-8-13(5-6-15(14)17)12-4-2-3-11(7-12)10-18/h2-8,10H,9H2,1H3
InChIKeyWZAUYXIMMNTPLU-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(3-formylphenyl)phenyl]propanoate
CID 88941399
methyl 5-(3-formylphenyl)-2-hydroxybenzoate
CID 5105759
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736
4-chloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide
CID 89092651
2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid
CID 176548301
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate
CID 171022888
N-[[2-ethoxy-5-(3-formylphenyl)-3-pyridinyl]methyl]-2-fluoro-4-(trifluoromethyl)benzamide
CID 89092657
2,4-dichloro-N-[[5-(3-formylphenyl)-2-propan-2-yloxyphenyl]methyl]benzamide
CID 89092727

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate (CID 176548334) is methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate is COC(=O)Cc1cc(-c2cccc(C=O)c2)ccc1F.
What is the InChIKey of methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate?
The InChIKey is WZAUYXIMMNTPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-20-16(19)9-14-8-13(5-6-15(14)17)12-4-2-3-11(7-12)10-18/h2-8,10H,9H2,1H3.
What are the key properties of methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate?
methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate has a molecular weight of 272.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate is sourced from PubChem (CID 176548334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).