1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium

C24H36BrO2Y- — CID 59933403

IUPAC1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium
SMILESCOc1c(C)c(Br)c(C)c(OC)c1CC1CCC(CC2CC[CH-]CC2)CC1.[Y]
InChIInChI=1S/C24H36BrO2.Y/c1-16-22(25)17(2)24(27-4)21(23(16)26-3)15-20-12-10-19(11-13-20)14-18-8-6-5-7-9-18;/h5,18-20H,6-15H2,1-4H3;/q-1;
InChIKeyOZDOJIPNIARKGE-UHFFFAOYSA-N
MW525.36 g/mol
LogP7.21
Rot. Bonds6

About 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium

1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium (PubChem CID 59933403) has the molecular formula C24H36BrO2Y- and a molecular weight of 525.36 g/mol. Its IUPAC name is 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium.

Molecular Properties

Compound Name1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium
PubChem CID59933403
Molecular FormulaC24H36BrO2Y-
Molecular Weight525.36 g/mol
Exact Mass524.10
IUPAC Name1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium
SMILESCOc1c(C)c(Br)c(C)c(OC)c1CC1CCC(CC2CC[CH-]CC2)CC1.[Y]
InChIInChI=1S/C24H36BrO2.Y/c1-16-22(25)17(2)24(27-4)21(23(16)26-3)15-20-12-10-19(11-13-20)14-18-8-6-5-7-9-18;/h5,18-20H,6-15H2,1-4H3;/q-1;
InChIKeyOZDOJIPNIARKGE-UHFFFAOYSA-N
XLogP7.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.36
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium?
The IUPAC name of 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium (CID 59933403) is 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium.
What is the SMILES notation for 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium?
The canonical SMILES for 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium is COc1c(C)c(Br)c(C)c(OC)c1CC1CCC(CC2CC[CH-]CC2)CC1.[Y].
What is the InChIKey of 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium?
The InChIKey is OZDOJIPNIARKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36BrO2.Y/c1-16-22(25)17(2)24(27-4)21(23(16)26-3)15-20-12-10-19(11-13-20)14-18-8-6-5-7-9-18;/h5,18-20H,6-15H2,1-4H3;/q-1;.
What are the key properties of 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium?
1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium has a molecular weight of 525.36 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[[4-(cyclohexylmethyl)cyclohexyl]methyl]-3,5-dimethoxy-2,6-dimethylbenzene;yttrium is sourced from PubChem (CID 59933403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).