(1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene

C24H20Br2O2 — CID 102127669

IUPAC(1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene
SMILESCOc1ccc(OC)c2c1[C@@H](c1ccc(Br)cc1)C=C[C@H]2c1ccc(Br)cc1
InChIInChI=1S/C24H20Br2O2/c1-27-21-13-14-22(28-2)24-20(16-5-9-18(26)10-6-16)12-11-19(23(21)24)15-3-7-17(25)8-4-15/h3-14,19-20H,1-2H3/t19-,20+
InChIKeyUGJNFTYLFJDCPB-BGYRXZFFSA-N
MW500.23 g/mol
LogP7.06
Rot. Bonds4

About (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene

(1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene (PubChem CID 102127669) has the molecular formula C24H20Br2O2 and a molecular weight of 500.23 g/mol. Its IUPAC name is (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene.

Molecular Properties

Compound Name(1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene
PubChem CID102127669
Molecular FormulaC24H20Br2O2
Molecular Weight500.23 g/mol
Exact Mass497.98
IUPAC Name(1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene
SMILESCOc1ccc(OC)c2c1[C@@H](c1ccc(Br)cc1)C=C[C@H]2c1ccc(Br)cc1
InChIInChI=1S/C24H20Br2O2/c1-27-21-13-14-22(28-2)24-20(16-5-9-18(26)10-6-16)12-11-19(23(21)24)15-3-7-17(25)8-4-15/h3-14,19-20H,1-2H3/t19-,20+
InChIKeyUGJNFTYLFJDCPB-BGYRXZFFSA-N
XLogP7.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.23
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
(R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene
CID 10839989
5-Bromo-4-methoxy-2-((1R,2S)-2-methyl-6-methylene-cyclohexylmethyl)-phenol
CID 10496255
5-Bromo-4-methoxy-2-((1S,2R)-2-methyl-6-methylene-cyclohexylmethyl)-phenol
CID 10805958
Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067146
Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067209
Benzene, 4-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-
CID 3068482
(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
CID 164609320
(2S,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
CID 164618468
(5aR,11aR,12S)-5a-(4-bromophenyl)-12-[(E)-2-(4-bromophenyl)ethenyl]-2,9-dimethoxy-11a,12-dihydro-11H-chromeno[2,3-b]chromene
CID 57396904
6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene
CID 162654197
1-(4-Bromo-2-fluorophenyl)-2-methoxynaphthalene
CID 129119409

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene?
The IUPAC name of (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene (CID 102127669) is (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene.
What is the SMILES notation for (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene?
The canonical SMILES for (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene is COc1ccc(OC)c2c1[C@@H](c1ccc(Br)cc1)C=C[C@H]2c1ccc(Br)cc1.
What is the InChIKey of (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene?
The InChIKey is UGJNFTYLFJDCPB-BGYRXZFFSA-N. The full InChI is InChI=1S/C24H20Br2O2/c1-27-21-13-14-22(28-2)24-20(16-5-9-18(26)10-6-16)12-11-19(23(21)24)15-3-7-17(25)8-4-15/h3-14,19-20H,1-2H3/t19-,20+.
What are the key properties of (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene?
(1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene has a molecular weight of 500.23 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-1,4-bis(4-bromophenyl)-5,8-dimethoxy-1,4-dihydronaphthalene is sourced from PubChem (CID 102127669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).