2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid

C19H19FO4 — CID 136551841

IUPAC2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc(F)ccc2OCC2CCOC2)c1
InChIInChI=1S/C19H19FO4/c20-16-4-5-18(24-12-14-6-7-23-11-14)17(10-16)15-3-1-2-13(8-15)9-19(21)22/h1-5,8,10,14H,6-7,9,11-12H2,(H,21,22)
InChIKeyYHDQTEQEFUGQOG-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.54
Rot. Bonds6

About 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid

2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid (PubChem CID 136551841) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid
PubChem CID136551841
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2cc(F)ccc2OCC2CCOC2)c1
InChIInChI=1S/C19H19FO4/c20-16-4-5-18(24-12-14-6-7-23-11-14)17(10-16)15-3-1-2-13(8-15)9-19(21)22/h1-5,8,10,14H,6-7,9,11-12H2,(H,21,22)
InChIKeyYHDQTEQEFUGQOG-UHFFFAOYSA-N
XLogP3.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid
CID 166242352
1-[3-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]phenyl]azetidine-3-carboxylic acid
CID 126645238
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
CID 155508313
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
5-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]-4-methylpyridine-3-carboxylic acid
CID 167948143
4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(3R)-oxan-3-yl]oxane-4-carboxamide
CID 129457040
N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide
CID 42377641

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid (CID 136551841) is 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2cc(F)ccc2OCC2CCOC2)c1.
What is the InChIKey of 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid?
The InChIKey is YHDQTEQEFUGQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c20-16-4-5-18(24-12-14-6-7-23-11-14)17(10-16)15-3-1-2-13(8-15)9-19(21)22/h1-5,8,10,14H,6-7,9,11-12H2,(H,21,22).
What are the key properties of 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid?
2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid has a molecular weight of 330.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]phenyl]acetic acid is sourced from PubChem (CID 136551841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).