4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol

C38H50Br2O4 — CID 157196355

About 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol

4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol (PubChem CID 157196355) has the molecular formula C38H50Br2O4 and a molecular weight of 730.62 g/mol. Its IUPAC name is 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol.

Molecular Properties

• Compound Name: 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
• PubChem CID: 157196355
• Molecular Formula: C38H50Br2O4
• Molecular Weight: 730.62 g/mol
• Exact Mass: 728.21
• IUPAC Name: 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
• SMILES: C=C(C)C1CCC(C)=C[C@H]1c1c(O)c(Br)c(CCC)c(Br)c1O.C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O
• InChI: InChI=1S/C19H24Br2O2.C19H26O2/c1-5-6-13-16(20)18(22)15(19(23)17(13)21)14-9-11(4)7-8-12(14)10(2)3;1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9,12,14,22-23H,2,5-8H2,1,3-4H3;9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t12?,14-;15?,16-/m11/s1
• InChIKey: AQHIEENWGWTZLU-SOFQYJHSSA-N
• XLogP: 11.66
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.62
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol?

The IUPAC name of 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol (CID 157196355) is 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol.

What is the SMILES notation for 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol?

The canonical SMILES for 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol is C=C(C)C1CCC(C)=C[C@H]1c1c(O)c(Br)c(CCC)c(Br)c1O.C=C(C)C1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O.

What is the InChIKey of 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol?

The InChIKey is AQHIEENWGWTZLU-SOFQYJHSSA-N. The full InChI is InChI=1S/C19H24Br2O2.C19H26O2/c1-5-6-13-16(20)18(22)15(19(23)17(13)21)14-9-11(4)7-8-12(14)10(2)3;1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9,12,14,22-23H,2,5-8H2,1,3-4H3;9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t12?,14-;15?,16-/m11/s1.

What are the key properties of 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol?

4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol has a molecular weight of 730.62 g/mol, XLogP of 11.66, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dibromo-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol;2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol is sourced from PubChem (CID 157196355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).