[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol

C13H15BrN2O2 — CID 63051116

IUPAC[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
SMILESCc1nccn1CCOc1ccc(CO)cc1Br
InChIInChI=1S/C13H15BrN2O2/c1-10-15-4-5-16(10)6-7-18-13-3-2-11(9-17)8-12(13)14/h2-5,8,17H,6-7,9H2,1H3
InChIKeySVVKJZNFQSMHIP-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.53
Rot. Bonds5

About [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol

[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol (PubChem CID 63051116) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
PubChem CID63051116
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
SMILESCc1nccn1CCOc1ccc(CO)cc1Br
InChIInChI=1S/C13H15BrN2O2/c1-10-15-4-5-16(10)6-7-18-13-3-2-11(9-17)8-12(13)14/h2-5,8,17H,6-7,9H2,1H3
InChIKeySVVKJZNFQSMHIP-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961547
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
[3-methyl-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]boronic acid
CID 63216862
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]-2-methylimidazole
CID 61493455
2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493364
3-[2-bromo-4-(hydroxymethyl)phenoxy]propan-1-ol
CID 63050271
5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
CID 63324827
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
N-[[5-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 61493104
2-[2-(2-methylimidazol-1-yl)ethoxy]ethanol
CID 61075883
[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 61493875

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol (CID 63051116) is [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol is Cc1nccn1CCOc1ccc(CO)cc1Br.
What is the InChIKey of [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol?
The InChIKey is SVVKJZNFQSMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-10-15-4-5-16(10)6-7-18-13-3-2-11(9-17)8-12(13)14/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol?
[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol has a molecular weight of 311.18 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 63051116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).