(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene

C21H18O — CID 11119699

IUPAC(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene
SMILESc1ccc([C@@H]2c3ccccc3CO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-3-9-16(10-4-1)20-19-14-8-7-13-18(19)15-22-21(20)17-11-5-2-6-12-17/h1-14,20-21H,15H2/t20-,21+/m1/s1
InChIKeyHYPGFAAQDHAZIZ-RTWAWAEBSA-N
MW286.37 g/mol
LogP5.09
Rot. Bonds2

About (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene

(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene (PubChem CID 11119699) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene
PubChem CID11119699
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene
SMILESc1ccc([C@@H]2c3ccccc3CO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-3-9-16(10-4-1)20-19-14-8-7-13-18(19)15-22-21(20)17-11-5-2-6-12-17/h1-14,20-21H,15H2/t20-,21+/m1/s1
InChIKeyHYPGFAAQDHAZIZ-RTWAWAEBSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene 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

(1R,4aS,10S,10aS)-1,10-diphenyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[g]isochromene
CID 132517967
(3S,4R)-7-(oxan-2-yloxy)-3,4-diphenyl-3,4-dihydro-1H-isochromene
CID 166661935
4-(4-fluorophenyl)-3,4-dihydro-1H-isochromene-3-carbonitrile
CID 57309362
1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium
CID 20564704
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium tetrafluoroborate
CID 140988673
4-(1,3-dihydro-2-benzofuran-1-yl)aniline
CID 70600489
1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 14230259
N-methyl-1,3-dihydro-2-benzofuran-1-amine
CID 141076317
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
1-(iodomethyl)-1,3-dihydro-2-benzofuran
CID 138756847

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene?
The IUPAC name of (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene (CID 11119699) is (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene is c1ccc([C@@H]2c3ccccc3CO[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene?
The InChIKey is HYPGFAAQDHAZIZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H18O/c1-3-9-16(10-4-1)20-19-14-8-7-13-18(19)15-22-21(20)17-11-5-2-6-12-17/h1-14,20-21H,15H2/t20-,21+/m1/s1.
What are the key properties of (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene?
(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene has a molecular weight of 286.37 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 11119699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).