1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane

C164H196Br4O14Si6 — CID 161170534

About 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane

1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane (PubChem CID 161170534) has the molecular formula C164H196Br4O14Si6 and a molecular weight of 2879.49 g/mol. Its IUPAC name is 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane.

Molecular Properties

• Compound Name: 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane
• PubChem CID: 161170534
• Molecular Formula: C164H196Br4O14Si6
• Molecular Weight: 2879.49 g/mol
• Exact Mass: 2873.00
• IUPAC Name: 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane
• SMILES: C.C=CC[Si](C)(C)c1ccc(CBr)cc1.C=CC[Si](C)(C)c1ccc(COc2ccc(CO)cc2)cc1.Cc1ccc(Br)cc1.Cc1ccc(CCC[Si](C)(C)c2ccc(CO)cc2)cc1.Cc1ccc(CCC[Si](C)(C)c2ccc(COc3ccc(C=O)cc3)cc2)cc1.Cc1ccc(CCC[Si](C)(C)c2ccc(COc3ccc(CBr)cc3)cc2)cc1.Cc1ccc(CCC[Si](C)(C)c2ccc(COc3ccc(CO)cc3)cc2)cc1.O=Cc1ccc(O)cc1.O=Cc1ccc(OCc2ccc(Br)cc2)cc1.OCc1ccc(O)cc1
• InChI: InChI=1S/C26H31BrOSi.C26H32O2Si.C26H30O2Si.C19H24O2Si.C19H26OSi.C14H11BrO2.C12H17BrSi.C7H7Br.C7H8O2.C7H6O2.CH4/c3*1-21-6-8-22(9-7-21)5-4-18-29(2,3)26-16-12-24(13-17-26)20-28-25-14-10-23(19-27)11-15-25;1-4-13-22(2,3)19-11-7-17(8-12-19)15-21-18-9-5-16(14-20)6-10-18;1-16-6-8-17(9-7-16)5-4-14-21(2,3)19-12-10-18(15-20)11-13-19;15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14;1-4-9-14(2,3)12-7-5-11(10-13)6-8-12;1-6-2-4-7(8)5-3-6;2*8-5-6-1-3-7(9)4-2-6;/h6-17H,4-5,18-20H2,1-3H3;6-17,27H,4-5,18-20H2,1-3H3;6-17,19H,4-5,18,20H2,1-3H3;4-12,20H,1,13-15H2,2-3H3;6-13,20H,4-5,14-15H2,1-3H3;1-9H,10H2;4-8H,1,9-10H2,2-3H3;2-5H,1H3;1-4,8-9H,5H2;1-5,9H;1H4
• InChIKey: URCQVCSTTICNNY-UHFFFAOYSA-N
• XLogP: 39.47
• TPSA: 218.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 50
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2879.49
LogP ≤ 5	39.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane?

The IUPAC name of 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane (CID 161170534) is 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane.

What is the SMILES notation for 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane?

The canonical SMILES for 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane is C.C=CC[Si](C)(C)c1ccc(CBr)cc1.C=CC[Si](C)(C)c1ccc(COc2ccc(CO)cc2)cc1.Cc1ccc(Br)cc1.Cc1ccc(CCC[Si](C)(C)c2ccc(CO)cc2)cc1.Cc1ccc(CCC[Si](C)(C)c2ccc(COc3ccc(C=O)cc3)cc2)cc1.Cc1ccc(CCC[Si](C)(C)c2ccc(COc3ccc(CBr)cc3)cc2)cc1.Cc1ccc(CCC[Si](C)(C)c2ccc(COc3ccc(CO)cc3)cc2)cc1.O=Cc1ccc(O)cc1.O=Cc1ccc(OCc2ccc(Br)cc2)cc1.OCc1ccc(O)cc1.

What is the InChIKey of 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane?

The InChIKey is URCQVCSTTICNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrOSi.C26H32O2Si.C26H30O2Si.C19H24O2Si.C19H26OSi.C14H11BrO2.C12H17BrSi.C7H7Br.C7H8O2.C7H6O2.CH4/c3*1-21-6-8-22(9-7-21)5-4-18-29(2,3)26-16-12-24(13-17-26)20-28-25-14-10-23(19-27)11-15-25;1-4-13-22(2,3)19-11-7-17(8-12-19)15-21-18-9-5-16(14-20)6-10-18;1-16-6-8-17(9-7-16)5-4-14-21(2,3)19-12-10-18(15-20)11-13-19;15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14;1-4-9-14(2,3)12-7-5-11(10-13)6-8-12;1-6-2-4-7(8)5-3-6;2*8-5-6-1-3-7(9)4-2-6;/h6-17H,4-5,18-20H2,1-3H3;6-17,27H,4-5,18-20H2,1-3H3;6-17,19H,4-5,18,20H2,1-3H3;4-12,20H,1,13-15H2,2-3H3;6-13,20H,4-5,14-15H2,1-3H3;1-9H,10H2;4-8H,1,9-10H2,2-3H3;2-5H,1H3;1-4,8-9H,5H2;1-5,9H;1H4.

What are the key properties of 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane?

1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane has a molecular weight of 2879.49 g/mol, XLogP of 39.47, 50 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-methylbenzene;[4-[[4-(bromomethyl)phenoxy]methyl]phenyl]-dimethyl-[3-(4-methylphenyl)propyl]silane;[4-(bromomethyl)phenyl]-dimethyl-prop-2-enylsilane;4-[(4-bromophenyl)methoxy]benzaldehyde;[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methanol;4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]benzaldehyde;[4-[[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]methoxy]phenyl]methanol;[4-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methoxy]phenyl]methanol;4-hydroxybenzaldehyde;4-(hydroxymethyl)phenol;methane is sourced from PubChem (CID 161170534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).