4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol

C19H22Br2O2 — CID 54592206

IUPAC4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol
SMILESCOc1ccc(-c2cc(CC(C)Br)ccc2O)cc1CC(C)Br
InChIInChI=1S/C19H22Br2O2/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,22H,8-9H2,1-3H3
InChIKeyGIWVHEJUUAATKM-UHFFFAOYSA-N
MW442.19 g/mol
LogP5.72
Rot. Bonds6

About 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol

4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol (PubChem CID 54592206) has the molecular formula C19H22Br2O2 and a molecular weight of 442.19 g/mol. Its IUPAC name is 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol.

Molecular Properties

Compound Name4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol
PubChem CID54592206
Molecular FormulaC19H22Br2O2
Molecular Weight442.19 g/mol
Exact Mass440.00
IUPAC Name4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol
SMILESCOc1ccc(-c2cc(CC(C)Br)ccc2O)cc1CC(C)Br
InChIInChI=1S/C19H22Br2O2/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,22H,8-9H2,1-3H3
InChIKeyGIWVHEJUUAATKM-UHFFFAOYSA-N
XLogP5.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.19
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol?
The IUPAC name of 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol (CID 54592206) is 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol.
What is the SMILES notation for 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol?
The canonical SMILES for 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol is COc1ccc(-c2cc(CC(C)Br)ccc2O)cc1CC(C)Br.
What is the InChIKey of 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol?
The InChIKey is GIWVHEJUUAATKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2O2/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,22H,8-9H2,1-3H3.
What are the key properties of 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol?
4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol has a molecular weight of 442.19 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopropyl)-2-[3-(2-bromopropyl)-4-methoxyphenyl]phenol is sourced from PubChem (CID 54592206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).