(2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran

C20H21BrO — CID 56837860

IUPAC(2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran
SMILESBrc1ccc(C[C@@H]2C=CC[C@H](CCc3ccccc3)O2)cc1
InChIInChI=1S/C20H21BrO/c21-18-12-9-17(10-13-18)15-20-8-4-7-19(22-20)14-11-16-5-2-1-3-6-16/h1-6,8-10,12-13,19-20H,7,11,14-15H2/t19-,20+/m1/s1
InChIKeyPHXIVIZGADPEQI-UXHICEINSA-N
MW357.29 g/mol
LogP5.34
Rot. Bonds5

About (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran

(2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran (PubChem CID 56837860) has the molecular formula C20H21BrO and a molecular weight of 357.29 g/mol. Its IUPAC name is (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran
PubChem CID56837860
Molecular FormulaC20H21BrO
Molecular Weight357.29 g/mol
Exact Mass356.08
IUPAC Name(2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran
SMILESBrc1ccc(C[C@@H]2C=CC[C@H](CCc3ccccc3)O2)cc1
InChIInChI=1S/C20H21BrO/c21-18-12-9-17(10-13-18)15-20-8-4-7-19(22-20)14-11-16-5-2-1-3-6-16/h1-6,8-10,12-13,19-20H,7,11,14-15H2/t19-,20+/m1/s1
InChIKeyPHXIVIZGADPEQI-UXHICEINSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.29
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran 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

(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran
CID 56837491
(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
CID 134930571
2,5-bis(2-phenylethyl)-2,5-dihydrofuran
CID 177484094
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
2-cyclobut-2-en-1-ylethylbenzene
CID 121007170
2-(2-phenylethyl)-2,5-dihydrofuran
CID 15808466
2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 10588392
2-(2-phenylethyl)oxetane
CID 13354102
2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane
CID 118022362
(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
[(2R,6R)-2-benzyl-3,6-dihydro-2H-pyran-6-yl]methyl 2,4,6-trimethylbenzenesulfonate
CID 134928860
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran (CID 56837860) is (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran is Brc1ccc(C[C@@H]2C=CC[C@H](CCc3ccccc3)O2)cc1.
What is the InChIKey of (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran?
The InChIKey is PHXIVIZGADPEQI-UXHICEINSA-N. The full InChI is InChI=1S/C20H21BrO/c21-18-12-9-17(10-13-18)15-20-8-4-7-19(22-20)14-11-16-5-2-1-3-6-16/h1-6,8-10,12-13,19-20H,7,11,14-15H2/t19-,20+/m1/s1.
What are the key properties of (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran?
(2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran has a molecular weight of 357.29 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-[(4-bromophenyl)methyl]-2-(2-phenylethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 56837860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).