[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol

C15H23BrO4 — CID 106453726

IUPAC[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Br)c1OCCOCC(C)C
InChIInChI=1S/C15H23BrO4/c1-4-19-14-8-12(9-17)7-13(16)15(14)20-6-5-18-10-11(2)3/h7-8,11,17H,4-6,9-10H2,1-3H3
InChIKeyVMORKJXYVPPXQR-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.39
Rot. Bonds9

About [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol

[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol (PubChem CID 106453726) has the molecular formula C15H23BrO4 and a molecular weight of 347.25 g/mol. Its IUPAC name is [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol
PubChem CID106453726
Molecular FormulaC15H23BrO4
Molecular Weight347.25 g/mol
Exact Mass346.08
IUPAC Name[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(Br)c1OCCOCC(C)C
InChIInChI=1S/C15H23BrO4/c1-4-19-14-8-12(9-17)7-13(16)15(14)20-6-5-18-10-11(2)3/h7-8,11,17H,4-6,9-10H2,1-3H3
InChIKeyVMORKJXYVPPXQR-UHFFFAOYSA-N
XLogP3.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
[3-bromo-5-ethoxy-4-(3-methylbut-3-enoxy)phenyl]methanol
CID 114472815
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43627207
3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 62325547
2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906399
[3-bromo-5-ethoxy-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
CID 106705140
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217
N-[[3-bromo-5-ethoxy-4-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 43626976
[3-bromo-5-ethoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methanol
CID 103003506
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
1-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-3-butoxypropan-2-ol
CID 107263393
[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol
CID 43627218

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol?
The IUPAC name of [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol (CID 106453726) is [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol is CCOc1cc(CO)cc(Br)c1OCCOCC(C)C.
What is the InChIKey of [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol?
The InChIKey is VMORKJXYVPPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO4/c1-4-19-14-8-12(9-17)7-13(16)15(14)20-6-5-18-10-11(2)3/h7-8,11,17H,4-6,9-10H2,1-3H3.
What are the key properties of [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol?
[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol has a molecular weight of 347.25 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol is sourced from PubChem (CID 106453726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).