1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one

C58H79BrO4 — CID 158652220

IUPAC1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one
SMILESCCCC1CCC(C2CCC(=O)CC2)CC1.CCCC1CCC(C2CCC(O)(c3ccc(-c4ccc(OC)cc4C)cc3)CC2)CC1.COc1ccc(-c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C29H40O2.C15H26O.C14H13BrO/c1-4-5-22-6-8-23(9-7-22)24-16-18-29(30,19-17-24)26-12-10-25(11-13-26)28-15-14-27(31-3)20-21(28)2;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;1-10-9-13(16-2)7-8-14(10)11-3-5-12(15)6-4-11/h10-15,20,22-24,30H,4-9,16-19H2,1-3H3;12-14H,2-11H2,1H3;3-9H,1-2H3
InChIKeyIBRRPOSBYVWHPK-UHFFFAOYSA-N
MW920.17 g/mol
LogP16.44
Rot. Bonds11

About 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one

1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one (PubChem CID 158652220) has the molecular formula C58H79BrO4 and a molecular weight of 920.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one
PubChem CID158652220
Molecular FormulaC58H79BrO4
Molecular Weight920.17 g/mol
Exact Mass918.52
IUPAC Name1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one
SMILESCCCC1CCC(C2CCC(=O)CC2)CC1.CCCC1CCC(C2CCC(O)(c3ccc(-c4ccc(OC)cc4C)cc3)CC2)CC1.COc1ccc(-c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C29H40O2.C15H26O.C14H13BrO/c1-4-5-22-6-8-23(9-7-22)24-16-18-29(30,19-17-24)26-12-10-25(11-13-26)28-15-14-27(31-3)20-21(28)2;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;1-10-9-13(16-2)7-8-14(10)11-3-5-12(15)6-4-11/h10-15,20,22-24,30H,4-9,16-19H2,1-3H3;12-14H,2-11H2,1H3;3-9H,1-2H3
InChIKeyIBRRPOSBYVWHPK-UHFFFAOYSA-N
XLogP16.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.17
LogP ≤ 516.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one (CID 158652220) is 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one is CCCC1CCC(C2CCC(=O)CC2)CC1.CCCC1CCC(C2CCC(O)(c3ccc(-c4ccc(OC)cc4C)cc3)CC2)CC1.COc1ccc(-c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one?
The InChIKey is IBRRPOSBYVWHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O2.C15H26O.C14H13BrO/c1-4-5-22-6-8-23(9-7-22)24-16-18-29(30,19-17-24)26-12-10-25(11-13-26)28-15-14-27(31-3)20-21(28)2;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;1-10-9-13(16-2)7-8-14(10)11-3-5-12(15)6-4-11/h10-15,20,22-24,30H,4-9,16-19H2,1-3H3;12-14H,2-11H2,1H3;3-9H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one?
1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one has a molecular weight of 920.17 g/mol, XLogP of 16.44, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methoxy-2-methylbenzene;1-[4-(4-methoxy-2-methylphenyl)phenyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;4-(4-propylcyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 158652220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).