2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid

C14H17FO4 — CID 14773437

IUPAC2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid
SMILESCCC[C@@H]1C[C@@](O)(CC(=O)O)c2cc(F)ccc2O1
InChIInChI=1S/C14H17FO4/c1-2-3-10-7-14(18,8-13(16)17)11-6-9(15)4-5-12(11)19-10/h4-6,10,18H,2-3,7-8H2,1H3,(H,16,17)/t10-,14-/m1/s1
InChIKeyODPTZSKBYUUDCS-QMTHXVAHSA-N
MW268.28 g/mol
LogP2.44
Rot. Bonds4

About 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid

2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid (PubChem CID 14773437) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid
PubChem CID14773437
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid
SMILESCCC[C@@H]1C[C@@](O)(CC(=O)O)c2cc(F)ccc2O1
InChIInChI=1S/C14H17FO4/c1-2-3-10-7-14(18,8-13(16)17)11-6-9(15)4-5-12(11)19-10/h4-6,10,18H,2-3,7-8H2,1H3,(H,16,17)/t10-,14-/m1/s1
InChIKeyODPTZSKBYUUDCS-QMTHXVAHSA-N
XLogP2.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid?
The IUPAC name of 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid (CID 14773437) is 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid?
The canonical SMILES for 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid is CCC[C@@H]1C[C@@](O)(CC(=O)O)c2cc(F)ccc2O1.
What is the InChIKey of 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid?
The InChIKey is ODPTZSKBYUUDCS-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H17FO4/c1-2-3-10-7-14(18,8-13(16)17)11-6-9(15)4-5-12(11)19-10/h4-6,10,18H,2-3,7-8H2,1H3,(H,16,17)/t10-,14-/m1/s1.
What are the key properties of 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid?
2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid has a molecular weight of 268.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-6-fluoro-4-hydroxy-2-propyl-2,3-dihydrochromen-4-yl]acetic acid is sourced from PubChem (CID 14773437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).