2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol

C12H15BrO3 — CID 63050614

IUPAC2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
SMILESOCc1ccc(OC2CCCC2O)c(Br)c1
InChIInChI=1S/C12H15BrO3/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,14-15H,1-3,7H2
InChIKeyPDIWFIJFYVJXME-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol

2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol (PubChem CID 63050614) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
PubChem CID63050614
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
SMILESOCc1ccc(OC2CCCC2O)c(Br)c1
InChIInChI=1S/C12H15BrO3/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,14-15H,1-3,7H2
InChIKeyPDIWFIJFYVJXME-UHFFFAOYSA-N
XLogP2.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60883957
trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
CID 102735425
2-(2-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 60712151
2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60884404
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
CID 107135061
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
CID 60877742
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
CID 55252184

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol (CID 63050614) is 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol is OCc1ccc(OC2CCCC2O)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
The InChIKey is PDIWFIJFYVJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,14-15H,1-3,7H2.
What are the key properties of 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol?
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol has a molecular weight of 287.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 63050614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).