(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol

C16H23FO2 — CID 104948110

IUPAC(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCCCCC1C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C16H23FO2/c1-2-3-4-5-6-7-13-11-15(18)14-10-12(17)8-9-16(14)19-13/h8-10,13,15,18H,2-7,11H2,1H3/t13?,15-/m0/s1
InChIKeyBESXFYSJYCTILK-WUJWULDRSA-N
MW266.36 g/mol
LogP4.37
Rot. Bonds6

About (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol

(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948110) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948110
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCCCCC1C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C16H23FO2/c1-2-3-4-5-6-7-13-11-15(18)14-10-12(17)8-9-16(14)19-13/h8-10,13,15,18H,2-7,11H2,1H3/t13?,15-/m0/s1
InChIKeyBESXFYSJYCTILK-WUJWULDRSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol (CID 104948110) is (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol is CCCCCCCC1C[C@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is BESXFYSJYCTILK-WUJWULDRSA-N. The full InChI is InChI=1S/C16H23FO2/c1-2-3-4-5-6-7-13-11-15(18)14-10-12(17)8-9-16(14)19-13/h8-10,13,15,18H,2-7,11H2,1H3/t13?,15-/m0/s1.
What are the key properties of (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 266.36 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).