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

C16H14BrFO2 — CID 114743343

IUPAC(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESOC(c1ccc(F)c(Br)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H14BrFO2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9,15,19H,2,4,8H2
InChIKeyYRYBTWAAJRRJCV-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.99
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (PubChem CID 114743343) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
PubChem CID114743343
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESOC(c1ccc(F)c(Br)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H14BrFO2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9,15,19H,2,4,8H2
InChIKeyYRYBTWAAJRRJCV-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
CID 115837852
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822
3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
CID 114743263
(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743779
(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744548
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 107538425

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (CID 114743343) is (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is OC(c1ccc(F)c(Br)c1)c1cccc2c1OCCC2.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The InChIKey is YRYBTWAAJRRJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c17-13-9-11(6-7-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9,15,19H,2,4,8H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol has a molecular weight of 337.19 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is sourced from PubChem (CID 114743343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).