(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol

C12H15BrO2 — CID 129381669

IUPAC(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)[C@@H]1C[C@H](O)c2cc(Br)ccc2O1
InChIInChI=1S/C12H15BrO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,10,12,14H,6H2,1-2H3/t10-,12-/m0/s1
InChIKeyNTGAZKLRTOELGJ-JQWIXIFHSA-N
MW271.15 g/mol
LogP3.29
Rot. Bonds1

About (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol

(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 129381669) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID129381669
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCC(C)[C@@H]1C[C@H](O)c2cc(Br)ccc2O1
InChIInChI=1S/C12H15BrO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,10,12,14H,6H2,1-2H3/t10-,12-/m0/s1
InChIKeyNTGAZKLRTOELGJ-JQWIXIFHSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381670
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661
6-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715636
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596
6-bromo-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715630
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286
6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713390
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
CID 104951380
7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714790
(4S)-6-bromo-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951316
(4S)-6-bromo-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951129
(4S)-6-bromo-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951295

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol (CID 129381669) is (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol is CC(C)[C@@H]1C[C@H](O)c2cc(Br)ccc2O1.
What is the InChIKey of (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is NTGAZKLRTOELGJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-5,7,10,12,14H,6H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol?
(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 271.15 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 129381669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).