2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one

C158H181BrO13 — CID 157070874

IUPAC2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2cc(C)c(O)c(C)c2)c1.CCCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCCc1cccc(-c2cc(C)c(O)c(C)c2)c1.CCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCc1cccc(-c2cc(C)c(O)c(C)c2)c1.Cc1cc(-c2ccc3c(c2)CC(C)(Br)C3O)cc(C)c1O.Cc1cc(-c2ccc3c(c2)CC(C)C3O)cc(C)c1O.Cc1cc(-c2ccc3c(c2)CC(C)C3O)cc(C)c1O
InChIInChI=1S/C18H19BrO2.2C18H20O2.2C18H22O.C17H18O2.3C17H20O/c1-10-6-13(7-11(2)16(10)20)12-4-5-15-14(8-12)9-18(3,19)17(15)21;2*1-10-6-14(7-11(2)17(10)19)13-4-5-16-15(9-13)8-12(3)18(16)20;1-4-5-7-15-8-6-9-16(12-15)17-10-13(2)18(19)14(3)11-17;1-4-5-6-15-7-9-16(10-8-15)17-11-13(2)18(19)14(3)12-17;1-11-7-16(8-12(2)17(11)19)15-6-4-5-14(10-15)9-13(3)18;1-4-6-14-7-5-8-15(11-14)16-9-12(2)17(18)13(3)10-16;2*1-4-5-14-6-8-15(9-7-14)16-10-12(2)17(18)13(3)11-16/h4-8,17,20-21H,9H2,1-3H3;2*4-7,9,12,18-20H,8H2,1-3H3;6,8-12,19H,4-5,7H2,1-3H3;7-12,19H,4-6H2,1-3H3;4-8,10,19H,9H2,1-3H3;5,7-11,18H,4,6H2,1-3H3;2*6-11,18H,4-5H2,1-3H3
InChIKeyACKLYPRRRKQMIU-UHFFFAOYSA-N
MW2368.08 g/mol
LogP39.95
Rot. Bonds23

About 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one

2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one (PubChem CID 157070874) has the molecular formula C158H181BrO13 and a molecular weight of 2368.08 g/mol. Its IUPAC name is 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one
PubChem CID157070874
Molecular FormulaC158H181BrO13
Molecular Weight2368.08 g/mol
Exact Mass2365.27
IUPAC Name2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2cc(C)c(O)c(C)c2)c1.CCCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCCc1cccc(-c2cc(C)c(O)c(C)c2)c1.CCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCc1cccc(-c2cc(C)c(O)c(C)c2)c1.Cc1cc(-c2ccc3c(c2)CC(C)(Br)C3O)cc(C)c1O.Cc1cc(-c2ccc3c(c2)CC(C)C3O)cc(C)c1O.Cc1cc(-c2ccc3c(c2)CC(C)C3O)cc(C)c1O
InChIInChI=1S/C18H19BrO2.2C18H20O2.2C18H22O.C17H18O2.3C17H20O/c1-10-6-13(7-11(2)16(10)20)12-4-5-15-14(8-12)9-18(3,19)17(15)21;2*1-10-6-14(7-11(2)17(10)19)13-4-5-16-15(9-13)8-12(3)18(16)20;1-4-5-7-15-8-6-9-16(12-15)17-10-13(2)18(19)14(3)11-17;1-4-5-6-15-7-9-16(10-8-15)17-11-13(2)18(19)14(3)12-17;1-11-7-16(8-12(2)17(11)19)15-6-4-5-14(10-15)9-13(3)18;1-4-6-14-7-5-8-15(11-14)16-9-12(2)17(18)13(3)10-16;2*1-4-5-14-6-8-15(9-7-14)16-10-12(2)17(18)13(3)11-16/h4-8,17,20-21H,9H2,1-3H3;2*4-7,9,12,18-20H,8H2,1-3H3;6,8-12,19H,4-5,7H2,1-3H3;7-12,19H,4-6H2,1-3H3;4-8,10,19H,9H2,1-3H3;5,7-11,18H,4,6H2,1-3H3;2*6-11,18H,4-5H2,1-3H3
InChIKeyACKLYPRRRKQMIU-UHFFFAOYSA-N
XLogP39.95
TPSA259.83 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002368.08
LogP ≤ 539.95
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-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 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one?
The IUPAC name of 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one (CID 157070874) is 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one.
What is the SMILES notation for 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one?
The canonical SMILES for 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one is CC(=O)Cc1cccc(-c2cc(C)c(O)c(C)c2)c1.CCCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCCc1cccc(-c2cc(C)c(O)c(C)c2)c1.CCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCc1ccc(-c2cc(C)c(O)c(C)c2)cc1.CCCc1cccc(-c2cc(C)c(O)c(C)c2)c1.Cc1cc(-c2ccc3c(c2)CC(C)(Br)C3O)cc(C)c1O.Cc1cc(-c2ccc3c(c2)CC(C)C3O)cc(C)c1O.Cc1cc(-c2ccc3c(c2)CC(C)C3O)cc(C)c1O.
What is the InChIKey of 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one?
The InChIKey is ACKLYPRRRKQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2.2C18H20O2.2C18H22O.C17H18O2.3C17H20O/c1-10-6-13(7-11(2)16(10)20)12-4-5-15-14(8-12)9-18(3,19)17(15)21;2*1-10-6-14(7-11(2)17(10)19)13-4-5-16-15(9-13)8-12(3)18(16)20;1-4-5-7-15-8-6-9-16(12-15)17-10-13(2)18(19)14(3)11-17;1-4-5-6-15-7-9-16(10-8-15)17-11-13(2)18(19)14(3)12-17;1-11-7-16(8-12(2)17(11)19)15-6-4-5-14(10-15)9-13(3)18;1-4-6-14-7-5-8-15(11-14)16-9-12(2)17(18)13(3)10-16;2*1-4-5-14-6-8-15(9-7-14)16-10-12(2)17(18)13(3)11-16/h4-8,17,20-21H,9H2,1-3H3;2*4-7,9,12,18-20H,8H2,1-3H3;6,8-12,19H,4-5,7H2,1-3H3;7-12,19H,4-6H2,1-3H3;4-8,10,19H,9H2,1-3H3;5,7-11,18H,4,6H2,1-3H3;2*6-11,18H,4-5H2,1-3H3.
What are the key properties of 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one?
2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one has a molecular weight of 2368.08 g/mol, XLogP of 39.95, 23 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-1,3-dihydroinden-1-ol;4-(3-butylphenyl)-2,6-dimethylphenol;4-(4-butylphenyl)-2,6-dimethylphenol;2,6-dimethyl-4-(3-propylphenyl)phenol;bis(2,6-dimethyl-4-(4-propylphenyl)phenol);bis(5-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-ol);1-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]propan-2-one is sourced from PubChem (CID 157070874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).