(3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one

C19H13BrO2 — CID 132990926

IUPAC(3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](c2c(O)ccc3ccccc23)c2c(Br)cccc21
InChIInChI=1S/C19H13BrO2/c20-15-7-3-6-13-17(22)10-14(18(13)15)19-12-5-2-1-4-11(12)8-9-16(19)21/h1-9,14,21H,10H2/t14-/m0/s1
InChIKeyMZFDDNHOSUEXGA-AWEZNQCLSA-N
MW353.21 g/mol
LogP5.03
Rot. Bonds1

About (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one

(3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one (PubChem CID 132990926) has the molecular formula C19H13BrO2 and a molecular weight of 353.21 g/mol. Its IUPAC name is (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one
PubChem CID132990926
Molecular FormulaC19H13BrO2
Molecular Weight353.21 g/mol
Exact Mass352.01
IUPAC Name(3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1C[C@H](c2c(O)ccc3ccccc23)c2c(Br)cccc21
InChIInChI=1S/C19H13BrO2/c20-15-7-3-6-13-17(22)10-14(18(13)15)19-12-5-2-1-4-11(12)8-9-16(19)21/h1-9,14,21H,10H2/t14-/m0/s1
InChIKeyMZFDDNHOSUEXGA-AWEZNQCLSA-N
XLogP5.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.21
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-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

(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 162403351
1-[(2S)-aziridin-2-yl]naphthalen-2-ol
CID 55262690
1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol
CID 91291962
2-(2-bromonaphthalen-1-yl)phenol
CID 122642120
1-piperidin-2-ylnaphthalen-2-ol
CID 53391922
1-piperidin-2-ylnaphthalen-2-ol;hydrochloride
CID 121000004
1-(3-hydroxycyclopentyl)naphthalen-2-ol
CID 22600553
1-[1-(9H-fluoren-9-yl)-5-(hydroxymethyl)pyrrolidin-2-yl]naphthalen-2-ol
CID 122217417
1-bromonaphthalene;formic acid
CID 174427536
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
(17-oxo-15,16-dihydrocyclopenta[a]phenanthren-15-yl) acetate
CID 6452290

Frequently Asked Questions

What is the IUPAC name of (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one?
The IUPAC name of (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one (CID 132990926) is (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one is O=C1C[C@H](c2c(O)ccc3ccccc23)c2c(Br)cccc21.
What is the InChIKey of (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one?
The InChIKey is MZFDDNHOSUEXGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H13BrO2/c20-15-7-3-6-13-17(22)10-14(18(13)15)19-12-5-2-1-4-11(12)8-9-16(19)21/h1-9,14,21H,10H2/t14-/m0/s1.
What are the key properties of (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one?
(3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one has a molecular weight of 353.21 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-bromo-3-(2-hydroxynaphthalen-1-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 132990926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).