2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol

C12H15BrO2 — CID 15122292

IUPAC2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol
SMILESCC(C)=C(Br)c1ccc(OCCO)cc1
InChIInChI=1S/C12H15BrO2/c1-9(2)12(13)10-3-5-11(6-4-10)15-8-7-14/h3-6,14H,7-8H2,1-2H3
InChIKeyPBCLZYGPPMFTSQ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.20
Rot. Bonds4

About 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol

2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol (PubChem CID 15122292) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol
PubChem CID15122292
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol
SMILESCC(C)=C(Br)c1ccc(OCCO)cc1
InChIInChI=1S/C12H15BrO2/c1-9(2)12(13)10-3-5-11(6-4-10)15-8-7-14/h3-6,14H,7-8H2,1-2H3
InChIKeyPBCLZYGPPMFTSQ-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 162335780
CID 162335780
[2-bromo-3-[4-(2-hydroxyethoxy)phenyl]buta-1,3-dienyl]-methylazanium
CID 163719185
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-3-methylbut-3-en-1-one
CID 122419863
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
2-(4-dimethylboranylphenoxy)ethanol
CID 58852404
CID 90413070
CID 90413070
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol
CID 158770285
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol?
The IUPAC name of 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol (CID 15122292) is 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol is CC(C)=C(Br)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol?
The InChIKey is PBCLZYGPPMFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-9(2)12(13)10-3-5-11(6-4-10)15-8-7-14/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol?
2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol has a molecular weight of 271.15 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol is sourced from PubChem (CID 15122292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).