3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol

C16H15FO2 — CID 114743309

IUPAC3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
SMILESOC(c1ccccc1F)c1cccc2c1OCCC2
InChIInChI=1S/C16H15FO2/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15,18H,4,6,10H2
InChIKeyBGQAQBWNQYTQLL-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.23
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol

3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol (PubChem CID 114743309) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
PubChem CID114743309
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
SMILESOC(c1ccccc1F)c1cccc2c1OCCC2
InChIInChI=1S/C16H15FO2/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15,18H,4,6,10H2
InChIKeyBGQAQBWNQYTQLL-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743779
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
CID 114744473
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822
(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744548
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol (CID 114743309) is 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol is OC(c1ccccc1F)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol?
The InChIKey is BGQAQBWNQYTQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c17-14-9-2-1-7-12(14)15(18)13-8-3-5-11-6-4-10-19-16(11)13/h1-3,5,7-9,15,18H,4,6,10H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol?
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol has a molecular weight of 258.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol is sourced from PubChem (CID 114743309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).