3-bromo-4-(ethoxymethyl)phenol

C9H11BrO2 — CID 117219830

IUPAC3-bromo-4-(ethoxymethyl)phenol
SMILESCCOCc1ccc(O)cc1Br
InChIInChI=1S/C9H11BrO2/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5,11H,2,6H2,1H3
InChIKeySBMBNWHRFFRDRD-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.69
Rot. Bonds3

About 3-bromo-4-(ethoxymethyl)phenol

3-bromo-4-(ethoxymethyl)phenol (PubChem CID 117219830) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-bromo-4-(ethoxymethyl)phenol.

Molecular Properties

Compound Name3-bromo-4-(ethoxymethyl)phenol
PubChem CID117219830
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name3-bromo-4-(ethoxymethyl)phenol
SMILESCCOCc1ccc(O)cc1Br
InChIInChI=1S/C9H11BrO2/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5,11H,2,6H2,1H3
InChIKeySBMBNWHRFFRDRD-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis(ethoxymethyl)phenol
CID 175162905
1-[3-bromo-4-(ethoxymethyl)phenyl]propan-2-one
CID 83903584
2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
CID 141078685
3-bromo-4-butylphenol
CID 20571557
3-bromo-4-(hydroxymethyl)phenol
CID 54447662
3-bromo-4-(sulfanylmethyl)phenol
CID 117219908
2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide
CID 86666324
4-bromo-1-(ethoxymethyl)-2-methylbenzene
CID 117219809
4-bromo-1-(ethoxymethyl)-2-methoxybenzene
CID 117219856
1-bromo-3-(2-bromo-4-hydroxyphenyl)propan-2-one
CID 131190700
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-(ethoxymethyl)-4-[(4-hydroxyphenyl)methyl]phenol
CID 155543166

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(ethoxymethyl)phenol?
The IUPAC name of 3-bromo-4-(ethoxymethyl)phenol (CID 117219830) is 3-bromo-4-(ethoxymethyl)phenol.
What is the SMILES notation for 3-bromo-4-(ethoxymethyl)phenol?
The canonical SMILES for 3-bromo-4-(ethoxymethyl)phenol is CCOCc1ccc(O)cc1Br.
What is the InChIKey of 3-bromo-4-(ethoxymethyl)phenol?
The InChIKey is SBMBNWHRFFRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5,11H,2,6H2,1H3.
What are the key properties of 3-bromo-4-(ethoxymethyl)phenol?
3-bromo-4-(ethoxymethyl)phenol has a molecular weight of 231.09 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(ethoxymethyl)phenol is sourced from PubChem (CID 117219830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).