6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol

C14H19FO2 — CID 114714011

IUPAC6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCCC1CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C14H19FO2/c1-2-3-4-5-11-9-13(16)12-8-10(15)6-7-14(12)17-11/h6-8,11,13,16H,2-5,9H2,1H3
InChIKeyUTUYHTBNKBSOBK-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.59
Rot. Bonds4

About 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol

6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714011) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714011
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCCCC1CC(O)c2cc(F)ccc2O1
InChIInChI=1S/C14H19FO2/c1-2-3-4-5-11-9-13(16)12-8-10(15)6-7-14(12)17-11/h6-8,11,13,16H,2-5,9H2,1H3
InChIKeyUTUYHTBNKBSOBK-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.59
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 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol (CID 114714011) is 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol is CCCCCC1CC(O)c2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is UTUYHTBNKBSOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-2-3-4-5-11-9-13(16)12-8-10(15)6-7-14(12)17-11/h6-8,11,13,16H,2-5,9H2,1H3.
What are the key properties of 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol?
6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 238.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).