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

C16H14F2O2 — CID 63709739

IUPAC(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
SMILESOC(c1ccc(F)cc1F)C1CCOc2ccccc21
InChIInChI=1S/C16H14F2O2/c17-10-5-6-13(14(18)9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16,19H,7-8H2
InChIKeyALSRTEGUJZLRFY-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.56
Rot. Bonds2

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

(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol (PubChem CID 63709739) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
PubChem CID63709739
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
SMILESOC(c1ccc(F)cc1F)C1CCOc2ccccc21
InChIInChI=1S/C16H14F2O2/c17-10-5-6-13(14(18)9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16,19H,7-8H2
InChIKeyALSRTEGUJZLRFY-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63710116
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65410661
3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 55225890
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198
(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 104769984
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709562
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 79742581

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol (CID 63709739) is (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol is OC(c1ccc(F)cc1F)C1CCOc2ccccc21.
What is the InChIKey of (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol?
The InChIKey is ALSRTEGUJZLRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c17-10-5-6-13(14(18)9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16,19H,7-8H2.
What are the key properties of (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol?
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol has a molecular weight of 276.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol is sourced from PubChem (CID 63709739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).