[4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol

C16H16FNO2 — CID 61049905

IUPAC[4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol
SMILESOCC1(Nc2ccccc2F)CCOc2ccccc21
InChIInChI=1S/C16H16FNO2/c17-13-6-2-3-7-14(13)18-16(11-19)9-10-20-15-8-4-1-5-12(15)16/h1-8,18-19H,9-11H2
InChIKeyROSXSRCSSALBHG-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.91
Rot. Bonds3

About [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol

[4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol (PubChem CID 61049905) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol
PubChem CID61049905
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name[4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol
SMILESOCC1(Nc2ccccc2F)CCOc2ccccc21
InChIInChI=1S/C16H16FNO2/c17-13-6-2-3-7-14(13)18-16(11-19)9-10-20-15-8-4-1-5-12(15)16/h1-8,18-19H,9-11H2
InChIKeyROSXSRCSSALBHG-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol (CID 61049905) is [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol is OCC1(Nc2ccccc2F)CCOc2ccccc21.
What is the InChIKey of [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is ROSXSRCSSALBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-13-6-2-3-7-14(13)18-16(11-19)9-10-20-15-8-4-1-5-12(15)16/h1-8,18-19H,9-11H2.
What are the key properties of [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol?
[4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 273.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroanilino)-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 61049905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).