4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid

C19H19FO5 — CID 167863131

IUPAC4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C19H19FO5/c1-23-18-9-12(19(21)22)4-6-15(18)16-10-13(20)5-7-17(16)25-11-14-3-2-8-24-14/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,22)
InChIKeyGTAMMASWBDOSGB-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.76
Rot. Bonds6

About 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid

4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid (PubChem CID 167863131) has the molecular formula C19H19FO5 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
PubChem CID167863131
Molecular FormulaC19H19FO5
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C19H19FO5/c1-23-18-9-12(19(21)22)4-6-15(18)16-10-13(20)5-7-17(16)25-11-14-3-2-8-24-14/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,22)
InChIKeyGTAMMASWBDOSGB-UHFFFAOYSA-N
XLogP3.76
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 167992438
4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
CID 62023686
4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
3-[[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]methyl]benzoic acid
CID 122029822
5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119125471
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
CID 43380107
N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 118771065
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid (CID 167863131) is 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1-c1cc(F)ccc1OCC1CCCO1.
What is the InChIKey of 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid?
The InChIKey is GTAMMASWBDOSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO5/c1-23-18-9-12(19(21)22)4-6-15(18)16-10-13(20)5-7-17(16)25-11-14-3-2-8-24-14/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,22).
What are the key properties of 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid?
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid has a molecular weight of 346.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid is sourced from PubChem (CID 167863131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).