1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide

C124H150Br13N2O16P — CID 160608759

IUPAC1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide
SMILESCCCOc1cc(Br)cc(Br)c1.CCCOc1cc(Br)cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)c1.CCCOc1cc(Br)cc(C=O)c1.CCCOc1cc(Br)cc(CBr)c1.CCCOc1cc(Br)cc(CC2CCN(C(=O)OC(C)(C)C)CC2)c1.CCCOc1cc(Br)cc(CO)c1.CCCOc1cc(Br)cc(COC)c1.CCCOc1cc(Br)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Oc1cc(Br)cc(Br)c1.[Br-]
InChIInChI=1S/C28H27BrOP.C20H30BrNO3.C20H28BrNO3.C11H15BrO2.C10H12Br2O.C10H13BrO2.C10H11BrO2.C9H10Br2O.C6H4Br2O.BrH/c1-2-18-30-25-20-23(19-24(29)21-25)22-31(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;2*1-5-10-24-18-13-16(12-17(21)14-18)11-15-6-8-22(9-7-15)19(23)25-20(2,3)4;1-3-4-14-11-6-9(8-13-2)5-10(12)7-11;1-2-3-13-10-5-8(7-11)4-9(12)6-10;2*1-2-3-13-10-5-8(7-12)4-9(11)6-10;1-2-3-12-9-5-7(10)4-8(11)6-9;7-4-1-5(8)3-6(9)2-4;/h3-17,19-21H,2,18,22H2,1H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;5-7H,3-4,8H2,1-2H3;4-6H,2-3,7H2,1H3;4-6,12H,2-3,7H2,1H3;4-7H,2-3H2,1H3;4-6H,2-3H2,1H3;1-3,9H;1H/q+1;;;;;;;;;/p-1
InChIKeyRDUYTTWPCCASFR-UHFFFAOYSA-M
MW2994.29 g/mol
LogP35.03
Rot. Bonds37

About 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide

1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide (PubChem CID 160608759) has the molecular formula C124H150Br13N2O16P and a molecular weight of 2994.29 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide.

Molecular Properties

Compound Name1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide
PubChem CID160608759
Molecular FormulaC124H150Br13N2O16P
Molecular Weight2994.29 g/mol
Exact Mass2980.01
IUPAC Name1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide
SMILESCCCOc1cc(Br)cc(Br)c1.CCCOc1cc(Br)cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)c1.CCCOc1cc(Br)cc(C=O)c1.CCCOc1cc(Br)cc(CBr)c1.CCCOc1cc(Br)cc(CC2CCN(C(=O)OC(C)(C)C)CC2)c1.CCCOc1cc(Br)cc(CO)c1.CCCOc1cc(Br)cc(COC)c1.CCCOc1cc(Br)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Oc1cc(Br)cc(Br)c1.[Br-]
InChIInChI=1S/C28H27BrOP.C20H30BrNO3.C20H28BrNO3.C11H15BrO2.C10H12Br2O.C10H13BrO2.C10H11BrO2.C9H10Br2O.C6H4Br2O.BrH/c1-2-18-30-25-20-23(19-24(29)21-25)22-31(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;2*1-5-10-24-18-13-16(12-17(21)14-18)11-15-6-8-22(9-7-15)19(23)25-20(2,3)4;1-3-4-14-11-6-9(8-13-2)5-10(12)7-11;1-2-3-13-10-5-8(7-11)4-9(12)6-10;2*1-2-3-13-10-5-8(7-12)4-9(11)6-10;1-2-3-12-9-5-7(10)4-8(11)6-9;7-4-1-5(8)3-6(9)2-4;/h3-17,19-21H,2,18,22H2,1H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;5-7H,3-4,8H2,1-2H3;4-6H,2-3,7H2,1H3;4-6,12H,2-3,7H2,1H3;4-7H,2-3H2,1H3;4-6H,2-3H2,1H3;1-3,9H;1H/q+1;;;;;;;;;/p-1
InChIKeyRDUYTTWPCCASFR-UHFFFAOYSA-M
XLogP35.03
TPSA199.68 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002994.29
LogP ≤ 535.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide 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-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide?
The IUPAC name of 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide (CID 160608759) is 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide.
What is the SMILES notation for 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide?
The canonical SMILES for 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide is CCCOc1cc(Br)cc(Br)c1.CCCOc1cc(Br)cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)c1.CCCOc1cc(Br)cc(C=O)c1.CCCOc1cc(Br)cc(CBr)c1.CCCOc1cc(Br)cc(CC2CCN(C(=O)OC(C)(C)C)CC2)c1.CCCOc1cc(Br)cc(CO)c1.CCCOc1cc(Br)cc(COC)c1.CCCOc1cc(Br)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Oc1cc(Br)cc(Br)c1.[Br-].
What is the InChIKey of 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide?
The InChIKey is RDUYTTWPCCASFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H27BrOP.C20H30BrNO3.C20H28BrNO3.C11H15BrO2.C10H12Br2O.C10H13BrO2.C10H11BrO2.C9H10Br2O.C6H4Br2O.BrH/c1-2-18-30-25-20-23(19-24(29)21-25)22-31(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;2*1-5-10-24-18-13-16(12-17(21)14-18)11-15-6-8-22(9-7-15)19(23)25-20(2,3)4;1-3-4-14-11-6-9(8-13-2)5-10(12)7-11;1-2-3-13-10-5-8(7-11)4-9(12)6-10;2*1-2-3-13-10-5-8(7-12)4-9(11)6-10;1-2-3-12-9-5-7(10)4-8(11)6-9;7-4-1-5(8)3-6(9)2-4;/h3-17,19-21H,2,18,22H2,1H3;12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;5-7H,3-4,8H2,1-2H3;4-6H,2-3,7H2,1H3;4-6,12H,2-3,7H2,1H3;4-7H,2-3H2,1H3;4-6H,2-3H2,1H3;1-3,9H;1H/q+1;;;;;;;;;/p-1.
What are the key properties of 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide?
1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide has a molecular weight of 2994.29 g/mol, XLogP of 35.03, 37 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(bromomethyl)-5-propoxybenzene;1-bromo-3-(methoxymethyl)-5-propoxybenzene;3-bromo-5-propoxybenzaldehyde;(3-bromo-5-propoxyphenyl)methanol;(3-bromo-5-propoxyphenyl)methyl-triphenylphosphanium;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(3-bromo-5-propoxyphenyl)methyl]piperidine-1-carboxylate;3,5-dibromophenol;1,3-dibromo-5-propoxybenzene;bromide is sourced from PubChem (CID 160608759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).