[3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol

C16H19FO3 — CID 16759138

IUPAC[3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESC=CCC1C=CC(Oc2ccc(F)cc2C)C(CO)O1
InChIInChI=1S/C16H19FO3/c1-3-4-13-6-8-15(16(10-18)19-13)20-14-7-5-12(17)9-11(14)2/h3,5-9,13,15-16,18H,1,4,10H2,2H3
InChIKeyIVVHRORBQRDJGL-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.77
Rot. Bonds5

About [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol

[3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 16759138) has the molecular formula C16H19FO3 and a molecular weight of 278.32 g/mol. Its IUPAC name is [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID16759138
Molecular FormulaC16H19FO3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name[3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESC=CCC1C=CC(Oc2ccc(F)cc2C)C(CO)O1
InChIInChI=1S/C16H19FO3/c1-3-4-13-6-8-15(16(10-18)19-13)20-14-7-5-12(17)9-11(14)2/h3,5-9,13,15-16,18H,1,4,10H2,2H3
InChIKeyIVVHRORBQRDJGL-UHFFFAOYSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol (CID 16759138) is [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol is C=CCC1C=CC(Oc2ccc(F)cc2C)C(CO)O1.
What is the InChIKey of [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is IVVHRORBQRDJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3/c1-3-4-13-6-8-15(16(10-18)19-13)20-14-7-5-12(17)9-11(14)2/h3,5-9,13,15-16,18H,1,4,10H2,2H3.
What are the key properties of [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol?
[3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 278.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-2-methylphenoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 16759138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).