4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol

C35H43Br3O10 — CID 157423664

About 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol

4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol (PubChem CID 157423664) has the molecular formula C35H43Br3O10 and a molecular weight of 863.43 g/mol. Its IUPAC name is 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol.

Molecular Properties

• Compound Name: 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol
• PubChem CID: 157423664
• Molecular Formula: C35H43Br3O10
• Molecular Weight: 863.43 g/mol
• Exact Mass: 860.04
• IUPAC Name: 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol
• SMILES: COCCOc1ccc(Br)c(CO)c1.COCCOc1ccc(Br)c(COC)c1.OCc1cc(O)ccc1Br.OCc1cccc(O)c1
• InChI: InChI=1S/C11H15BrO3.C10H13BrO3.C7H7BrO2.C7H8O2/c1-13-5-6-15-10-3-4-11(12)9(7-10)8-14-2;1-13-4-5-14-9-2-3-10(11)8(6-9)7-12;8-7-2-1-6(10)3-5(7)4-9;8-5-6-2-1-3-7(9)4-6/h3-4,7H,5-6,8H2,1-2H3;2-3,6,12H,4-5,7H2,1H3;1-3,9-10H,4H2;1-4,8-9H,5H2
• InChIKey: BPSAPHBWNJDSII-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 147.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.43
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol?

The IUPAC name of 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol (CID 157423664) is 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol.

What is the SMILES notation for 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol?

The canonical SMILES for 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol is COCCOc1ccc(Br)c(CO)c1.COCCOc1ccc(Br)c(COC)c1.OCc1cc(O)ccc1Br.OCc1cccc(O)c1.

What is the InChIKey of 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol?

The InChIKey is BPSAPHBWNJDSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3.C10H13BrO3.C7H7BrO2.C7H8O2/c1-13-5-6-15-10-3-4-11(12)9(7-10)8-14-2;1-13-4-5-14-9-2-3-10(11)8(6-9)7-12;8-7-2-1-6(10)3-5(7)4-9;8-5-6-2-1-3-7(9)4-6/h3-4,7H,5-6,8H2,1-2H3;2-3,6,12H,4-5,7H2,1H3;1-3,9-10H,4H2;1-4,8-9H,5H2.

What are the key properties of 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol?

4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol has a molecular weight of 863.43 g/mol, XLogP of 7.12, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol is sourced from PubChem (CID 157423664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).