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

C16H13BrF2O2 — CID 107538517

IUPAC(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESOC(c1ccc(F)c(F)c1Br)c1cccc2c1OCCC2
InChIInChI=1S/C16H13BrF2O2/c17-13-10(6-7-12(18)14(13)19)15(20)11-5-1-3-9-4-2-8-21-16(9)11/h1,3,5-7,15,20H,2,4,8H2
InChIKeyFPHWNLUQBQYPGR-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.13
Rot. Bonds2

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

(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (PubChem CID 107538517) has the molecular formula C16H13BrF2O2 and a molecular weight of 355.18 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
PubChem CID107538517
Molecular FormulaC16H13BrF2O2
Molecular Weight355.18 g/mol
Exact Mass354.01
IUPAC Name(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESOC(c1ccc(F)c(F)c1Br)c1cccc2c1OCCC2
InChIInChI=1S/C16H13BrF2O2/c17-13-10(6-7-12(18)14(13)19)15(20)11-5-1-3-9-4-2-8-21-16(9)11/h1,3,5-7,15,20H,2,4,8H2
InChIKeyFPHWNLUQBQYPGR-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 107538425
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743779
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
(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
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
(2-bromo-3,4-difluorophenyl)-(2,3-difluorophenyl)methanol
CID 107538306
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (CID 107538517) is (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is OC(c1ccc(F)c(F)c1Br)c1cccc2c1OCCC2.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The InChIKey is FPHWNLUQBQYPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2O2/c17-13-10(6-7-12(18)14(13)19)15(20)11-5-1-3-9-4-2-8-21-16(9)11/h1,3,5-7,15,20H,2,4,8H2.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol has a molecular weight of 355.18 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is sourced from PubChem (CID 107538517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).