[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Ethoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 3427706
6-(5-Fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10384345
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysen-10-yl)-methanol
CID 11002535
9-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-chromeno[3,4-f]quinoline
CID 17921933
4-({2-[(2-Fluorobenzyl)oxy]benzyl}amino)phenol
CID 833976
N-[2-(allyloxy)benzyl]-3-fluoroaniline
CID 2245161
6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline;hydrochloride
CID 45263610
6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-(1-prop-2-enoxyethyl)-1H-quinoline;hydrobromide
CID 45265930
6-Hydroxy-5-(2,4-difluorophenyl)aminomethyl-3, 4-dihydrobenzopyran
CID 13564462
7-[(2,4-difluoroanilino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 13564465
6-Hydroxy-7-phenylaminomethyl-3,4-dihydrobenzopyran
CID 13564469
N-{2-[(3-fluorobenzyl)oxy]benzyl}aniline
CID 893128

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).