(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol

C9H9FO2 — CID 47003481

IUPAC(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2c(F)cccc21
InChIInChI=1S/C9H9FO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8,11H,4-5H2/t8-/m1/s1
InChIKeyWQHKECFCIGOLGN-MRVPVSSYSA-N
MW168.17 g/mol
LogP1.64
Rot. Bonds

About (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 47003481) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID47003481
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2c(F)cccc21
InChIInChI=1S/C9H9FO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8,11H,4-5H2/t8-/m1/s1
InChIKeyWQHKECFCIGOLGN-MRVPVSSYSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4059
Xanthydrol
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Flavan
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CID 18811
Chroman-4-ol
CID 92890
3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol
CID 24252761
1,2-Propanediol, 3-(o-ethylphenoxy)-
CID 98049
Benzenemethanol, 2-ethoxy-
CID 51381
2-Phenoxybenzyl alcohol
CID 3660111
2-Methoxybenzhydryl alcohol
CID 90839
3,4-Dihydro-6-methyl-2H-1-benzopyran-4-ol
CID 12328973

Frequently Asked Questions

What is the IUPAC name of (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 47003481) is (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CCOc2c(F)cccc21.
What is the InChIKey of (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WQHKECFCIGOLGN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8,11H,4-5H2/t8-/m1/s1.
What are the key properties of (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 168.17 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 47003481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).