(3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one

C15H18BrNO3 — CID 70281801

IUPAC(3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one
SMILESCC1(C)Oc2c(cc3c(c2Br)CCCC3=O)[C@H](N)[C@H]1O
InChIInChI=1S/C15H18BrNO3/c1-15(2)14(19)12(17)9-6-8-7(4-3-5-10(8)18)11(16)13(9)20-15/h6,12,14,19H,3-5,17H2,1-2H3/t12-,14+/m0/s1
InChIKeyWJTABWHOZATREP-GXTWGEPZSA-N
MW340.22 g/mol
LogP2.50
Rot. Bonds

About (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one

(3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one (PubChem CID 70281801) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one.

Molecular Properties

Compound Name(3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one
PubChem CID70281801
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name(3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one
SMILESCC1(C)Oc2c(cc3c(c2Br)CCCC3=O)[C@H](N)[C@H]1O
InChIInChI=1S/C15H18BrNO3/c1-15(2)14(19)12(17)9-6-8-7(4-3-5-10(8)18)11(16)13(9)20-15/h6,12,14,19H,3-5,17H2,1-2H3/t12-,14+/m0/s1
InChIKeyWJTABWHOZATREP-GXTWGEPZSA-N
XLogP2.50
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one 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

5-bromo-6,7-difluoro-3,4-dihydro-2H-naphthalen-1-one
CID 171787843
4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 15634796
1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]ethanone
CID 10537715
[(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-phenylmethanone
CID 10709125
1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-6-yl]ethanone
CID 70283476
3-chloro-4-fluoro-N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-oxo-4,7,8,9-tetrahydro-3H-benzo[g]chromen-4-yl]benzamide
CID 10387266
(3S,4R)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxylic acid
CID 167173985
(3R,4S)-4-amino-2,2-dimethyl-7-nitro-3,4-dihydrochromen-3-ol
CID 54090204
9-amino-2,3,7,7-tetramethyl-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
CID 143110056
4-bromo-8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile
CID 130038627
2,2,6,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82188332
6-bromo-2,2,8-trimethyl-3H-chromen-4-one
CID 64696216

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one?
The IUPAC name of (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one (CID 70281801) is (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one.
What is the SMILES notation for (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one?
The canonical SMILES for (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one is CC1(C)Oc2c(cc3c(c2Br)CCCC3=O)[C@H](N)[C@H]1O.
What is the InChIKey of (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one?
The InChIKey is WJTABWHOZATREP-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-15(2)14(19)12(17)9-6-8-7(4-3-5-10(8)18)11(16)13(9)20-15/h6,12,14,19H,3-5,17H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one?
(3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one has a molecular weight of 340.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-10-bromo-3-hydroxy-2,2-dimethyl-4,7,8,9-tetrahydro-3H-benzo[g]chromen-6-one is sourced from PubChem (CID 70281801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).