methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate

C17H17FO5 — CID 171865239

IUPACmethyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C17H17FO5/c1-22-17(21)16(20)15(19)11-6-8-13(9-7-11)23-10-12-4-2-3-5-14(12)18/h2-9,15-16,19-20H,10H2,1H3
InChIKeyNKIIXDBLZZEJDS-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.97
Rot. Bonds6

About methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate

methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate (PubChem CID 171865239) has the molecular formula C17H17FO5 and a molecular weight of 320.32 g/mol. Its IUPAC name is methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
PubChem CID171865239
Molecular FormulaC17H17FO5
Molecular Weight320.32 g/mol
Exact Mass320.11
IUPAC Namemethyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C17H17FO5/c1-22-17(21)16(20)15(19)11-6-8-13(9-7-11)23-10-12-4-2-3-5-14(12)18/h2-9,15-16,19-20H,10H2,1H3
InChIKeyNKIIXDBLZZEJDS-UHFFFAOYSA-N
XLogP1.97
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831246
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 131847800
methyl 2-fluoro-6-(phenoxymethyl)benzoate
CID 150404224
methyl (2R)-2-[[4-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoate
CID 141119805
methyl 2,3-dihydroxy-3-[4-[[4-[2-(methoxyamino)-2-phenylethenoxy]phenyl]methoxy]phenyl]propanoate
CID 123693725
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
CID 170885350
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate (CID 171865239) is methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate?
The InChIKey is NKIIXDBLZZEJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO5/c1-22-17(21)16(20)15(19)11-6-8-13(9-7-11)23-10-12-4-2-3-5-14(12)18/h2-9,15-16,19-20H,10H2,1H3.
What are the key properties of methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate?
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate has a molecular weight of 320.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).