4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol

C15H13BrFNO2 — CID 107694178

IUPAC4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol
SMILESNC1CC(c2ccc(O)c(F)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H13BrFNO2/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-13(19)11(17)5-8/h1-6,12,14,19H,7,18H2
InChIKeyRSLJUVGVBAOEOS-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.82
Rot. Bonds1

About 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol

4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol (PubChem CID 107694178) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol
PubChem CID107694178
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol
SMILESNC1CC(c2ccc(O)c(F)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H13BrFNO2/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-13(19)11(17)5-8/h1-6,12,14,19H,7,18H2
InChIKeyRSLJUVGVBAOEOS-UHFFFAOYSA-N
XLogP3.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4S)-4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
CID 104945739
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947352
(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945469
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
(4S)-7-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945659
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4R)-7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945465

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol?
The IUPAC name of 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol (CID 107694178) is 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol.
What is the SMILES notation for 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol?
The canonical SMILES for 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol is NC1CC(c2ccc(O)c(F)c2)Oc2cc(Br)ccc21.
What is the InChIKey of 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol?
The InChIKey is RSLJUVGVBAOEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-13(19)11(17)5-8/h1-6,12,14,19H,7,18H2.
What are the key properties of 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol?
4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol has a molecular weight of 338.18 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol is sourced from PubChem (CID 107694178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).