5-(bromomethyl)-2-ethylphenol

C9H11BrO — CID 171653921

IUPAC5-(bromomethyl)-2-ethylphenol
SMILESCCc1ccc(CBr)cc1O
InChIInChI=1S/C9H11BrO/c1-2-8-4-3-7(6-10)5-9(8)11/h3-5,11H,2,6H2,1H3
InChIKeyMIVXAMKCEXEGSI-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.85
Rot. Bonds2

About 5-(bromomethyl)-2-ethylphenol

5-(bromomethyl)-2-ethylphenol (PubChem CID 171653921) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 5-(bromomethyl)-2-ethylphenol.

Molecular Properties

Compound Name5-(bromomethyl)-2-ethylphenol
PubChem CID171653921
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name5-(bromomethyl)-2-ethylphenol
SMILESCCc1ccc(CBr)cc1O
InChIInChI=1S/C9H11BrO/c1-2-8-4-3-7(6-10)5-9(8)11/h3-5,11H,2,6H2,1H3
InChIKeyMIVXAMKCEXEGSI-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
2-ethyl-5-propylphenol
CID 522454
ethane;2-ethyl-5-methylphenol
CID 142001660
2-ethyl-5-nonylphenol
CID 54394722
4-ethylbenzene-1,3-diol
CID 17927
1-[5-(bromomethyl)-2-ethylphenyl]-3-chloropropan-1-one
CID 131500040
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461
1-[5-(bromomethyl)-2-(iodomethyl)phenyl]propan-1-one
CID 89196705
1-(bromomethyl)-4-ethyl-2-fluorobenzene
CID 91883092
2-ethyl-5-propan-2-ylphenol
CID 45096246
1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone
CID 123412680

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-ethylphenol?
The IUPAC name of 5-(bromomethyl)-2-ethylphenol (CID 171653921) is 5-(bromomethyl)-2-ethylphenol.
What is the SMILES notation for 5-(bromomethyl)-2-ethylphenol?
The canonical SMILES for 5-(bromomethyl)-2-ethylphenol is CCc1ccc(CBr)cc1O.
What is the InChIKey of 5-(bromomethyl)-2-ethylphenol?
The InChIKey is MIVXAMKCEXEGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-2-8-4-3-7(6-10)5-9(8)11/h3-5,11H,2,6H2,1H3.
What are the key properties of 5-(bromomethyl)-2-ethylphenol?
5-(bromomethyl)-2-ethylphenol has a molecular weight of 215.09 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-ethylphenol is sourced from PubChem (CID 171653921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).