[3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol

C13H19BrO2 — CID 164894455

IUPAC[3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol
SMILESCCOc1c(Br)cc(CC(C)C)cc1CO
InChIInChI=1S/C13H19BrO2/c1-4-16-13-11(8-15)6-10(5-9(2)3)7-12(13)14/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyGSWQLNAMTHUARF-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.54
Rot. Bonds5

About [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol

[3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol (PubChem CID 164894455) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol
PubChem CID164894455
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name[3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol
SMILESCCOc1c(Br)cc(CC(C)C)cc1CO
InChIInChI=1S/C13H19BrO2/c1-4-16-13-11(8-15)6-10(5-9(2)3)7-12(13)14/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyGSWQLNAMTHUARF-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol?
The IUPAC name of [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol (CID 164894455) is [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol is CCOc1c(Br)cc(CC(C)C)cc1CO.
What is the InChIKey of [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol?
The InChIKey is GSWQLNAMTHUARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-4-16-13-11(8-15)6-10(5-9(2)3)7-12(13)14/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol?
[3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol has a molecular weight of 287.20 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-ethoxy-5-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 164894455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).