4-(1-bromoethyl)-2,6-dimethoxyphenol

C10H13BrO3 — CID 134832276

IUPAC4-(1-bromoethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(C(C)Br)cc(OC)c1O
InChIInChI=1S/C10H13BrO3/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-6,12H,1-3H3
InChIKeyCQQIDGSKGBTQQI-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.87
Rot. Bonds3

About 4-(1-bromoethyl)-2,6-dimethoxyphenol

4-(1-bromoethyl)-2,6-dimethoxyphenol (PubChem CID 134832276) has the molecular formula C10H13BrO3 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-(1-bromoethyl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(1-bromoethyl)-2,6-dimethoxyphenol
PubChem CID134832276
Molecular FormulaC10H13BrO3
Molecular Weight261.12 g/mol
Exact Mass260.00
IUPAC Name4-(1-bromoethyl)-2,6-dimethoxyphenol
SMILESCOc1cc(C(C)Br)cc(OC)c1O
InChIInChI=1S/C10H13BrO3/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-6,12H,1-3H3
InChIKeyCQQIDGSKGBTQQI-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
CID 155387777
4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol
CID 122207108
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219344
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
(1S,2S,3R,4S)-1,4-bis(4-hydroxy-3,5-dimethoxyphenyl)-2,3-bis(hydroxymethyl)butane-1,4-diol
CID 162905725
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(1-bromoethyl)-2,6-dimethoxyphenol (CID 134832276) is 4-(1-bromoethyl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(1-bromoethyl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(1-bromoethyl)-2,6-dimethoxyphenol is COc1cc(C(C)Br)cc(OC)c1O.
What is the InChIKey of 4-(1-bromoethyl)-2,6-dimethoxyphenol?
The InChIKey is CQQIDGSKGBTQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-6,12H,1-3H3.
What are the key properties of 4-(1-bromoethyl)-2,6-dimethoxyphenol?
4-(1-bromoethyl)-2,6-dimethoxyphenol has a molecular weight of 261.12 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-2,6-dimethoxyphenol is sourced from PubChem (CID 134832276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).