(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol

C16H15BrOS — CID 177412083

IUPAC(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol
SMILESC[C@@]1(O)C[C@H](c2ccc(Br)cc2)Sc2ccccc21
InChIInChI=1S/C16H15BrOS/c1-16(18)10-15(11-6-8-12(17)9-7-11)19-14-5-3-2-4-13(14)16/h2-9,15,18H,10H2,1H3/t15-,16-/m1/s1
InChIKeyFGWOHCXJQKZCTG-HZPDHXFCSA-N
MW335.27 g/mol
LogP4.89
Rot. Bonds1

About (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol

(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol (PubChem CID 177412083) has the molecular formula C16H15BrOS and a molecular weight of 335.27 g/mol. Its IUPAC name is (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol
PubChem CID177412083
Molecular FormulaC16H15BrOS
Molecular Weight335.27 g/mol
Exact Mass334.00
IUPAC Name(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol
SMILESC[C@@]1(O)C[C@H](c2ccc(Br)cc2)Sc2ccccc21
InChIInChI=1S/C16H15BrOS/c1-16(18)10-15(11-6-8-12(17)9-7-11)19-14-5-3-2-4-13(14)16/h2-9,15,18H,10H2,1H3/t15-,16-/m1/s1
InChIKeyFGWOHCXJQKZCTG-HZPDHXFCSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol?
The IUPAC name of (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol (CID 177412083) is (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol.
What is the SMILES notation for (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol?
The canonical SMILES for (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol is C[C@@]1(O)C[C@H](c2ccc(Br)cc2)Sc2ccccc21.
What is the InChIKey of (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol?
The InChIKey is FGWOHCXJQKZCTG-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H15BrOS/c1-16(18)10-15(11-6-8-12(17)9-7-11)19-14-5-3-2-4-13(14)16/h2-9,15,18H,10H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol?
(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol has a molecular weight of 335.27 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol is sourced from PubChem (CID 177412083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).