2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid

C12H13FO4 — CID 154342529

IUPAC2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid
SMILESCC1(F)CC(O)(CC(=O)O)c2ccccc2O1
InChIInChI=1S/C12H13FO4/c1-11(13)7-12(16,6-10(14)15)8-4-2-3-5-9(8)17-11/h2-5,16H,6-7H2,1H3,(H,14,15)
InChIKeyDRAGRLKMTHSQIQ-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.82
Rot. Bonds2

About 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid

2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid (PubChem CID 154342529) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid
PubChem CID154342529
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid
SMILESCC1(F)CC(O)(CC(=O)O)c2ccccc2O1
InChIInChI=1S/C12H13FO4/c1-11(13)7-12(16,6-10(14)15)8-4-2-3-5-9(8)17-11/h2-5,16H,6-7H2,1H3,(H,14,15)
InChIKeyDRAGRLKMTHSQIQ-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid
CID 83818671
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate
CID 81142633
ethane;2,2,3,3-tetramethyl-1-benzofuran
CID 144945453
4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol
CID 13339036
2-[4-(ethylamino)-2,2-dimethyl-3H-chromen-4-yl]acetamide
CID 81142408
(9-methylxanthen-9-yl)methanol
CID 57435258
2-[1-(2,2-dimethyl-1,3-benzoxathiol-7-yl)cyclopropyl]acetic acid
CID 117415580
2,2-diethyl-4,4-dimethyl-3H-chromene
CID 146403608
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid
CID 141319368

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid?
The IUPAC name of 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid (CID 154342529) is 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid?
The canonical SMILES for 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid is CC1(F)CC(O)(CC(=O)O)c2ccccc2O1.
What is the InChIKey of 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid?
The InChIKey is DRAGRLKMTHSQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO4/c1-11(13)7-12(16,6-10(14)15)8-4-2-3-5-9(8)17-11/h2-5,16H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid?
2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid has a molecular weight of 240.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid is sourced from PubChem (CID 154342529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).