(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C16H14BrFO3 — CID 104948223

IUPAC(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc(Br)cc1C1C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C16H14BrFO3/c1-20-14-4-2-9(17)6-12(14)16-8-13(19)11-7-10(18)3-5-15(11)21-16/h2-7,13,16,19H,8H2,1H3/t13-,16?/m0/s1
InChIKeyHIDZXQVNRGUXFG-KNVGNIICSA-N
MW353.19 g/mol
LogP4.15
Rot. Bonds2

About (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948223) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948223
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc(Br)cc1C1C[C@H](O)c2cc(F)ccc2O1
InChIInChI=1S/C16H14BrFO3/c1-20-14-4-2-9(17)6-12(14)16-8-13(19)11-7-10(18)3-5-15(11)21-16/h2-7,13,16,19H,8H2,1H3/t13-,16?/m0/s1
InChIKeyHIDZXQVNRGUXFG-KNVGNIICSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176
6-bromo-2-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715629
(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948265
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104948223) is (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is COc1ccc(Br)cc1C1C[C@H](O)c2cc(F)ccc2O1.
What is the InChIKey of (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HIDZXQVNRGUXFG-KNVGNIICSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-20-14-4-2-9(17)6-12(14)16-8-13(19)11-7-10(18)3-5-15(11)21-16/h2-7,13,16,19H,8H2,1H3/t13-,16?/m0/s1.
What are the key properties of (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 353.19 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).