2-(5-bromopentoxy)phenol

C11H15BrO2 — CID 13197601

IUPAC2-(5-bromopentoxy)phenol
SMILESOc1ccccc1OCCCCCBr
InChIInChI=1S/C11H15BrO2/c12-8-4-1-5-9-14-11-7-3-2-6-10(11)13/h2-3,6-7,13H,1,4-5,8-9H2
InChIKeyGCTUVVSCIFNOOT-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.34
Rot. Bonds6

About 2-(5-bromopentoxy)phenol

2-(5-bromopentoxy)phenol (PubChem CID 13197601) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-(5-bromopentoxy)phenol.

Molecular Properties

Compound Name2-(5-bromopentoxy)phenol
PubChem CID13197601
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-(5-bromopentoxy)phenol
SMILESOc1ccccc1OCCCCCBr
InChIInChI=1S/C11H15BrO2/c12-8-4-1-5-9-14-11-7-3-2-6-10(11)13/h2-3,6-7,13H,1,4-5,8-9H2
InChIKeyGCTUVVSCIFNOOT-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromobutoxy)-2-fluorobenzene;1,4-dibromobutane;2-fluorophenol
CID 161283859
2-tridecoxyphenol
CID 67178320
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1-(6-bromohexoxy)-2-(chloromethoxy)benzene
CID 54415584
2-(12-bromododecoxy)phenolate
CID 100985247
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
1-(5-bromopentoxy)-2-phenylmethoxybenzene
CID 70388303
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
2-(5,5,5-trifluoropentoxy)phenol
CID 141247265
[4-[2-(9-bromononoxy)benzoyl]oxyphenyl] 2-(9-bromononoxy)benzoate
CID 18443744
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
CID 139058411

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopentoxy)phenol?
The IUPAC name of 2-(5-bromopentoxy)phenol (CID 13197601) is 2-(5-bromopentoxy)phenol.
What is the SMILES notation for 2-(5-bromopentoxy)phenol?
The canonical SMILES for 2-(5-bromopentoxy)phenol is Oc1ccccc1OCCCCCBr.
What is the InChIKey of 2-(5-bromopentoxy)phenol?
The InChIKey is GCTUVVSCIFNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c12-8-4-1-5-9-14-11-7-3-2-6-10(11)13/h2-3,6-7,13H,1,4-5,8-9H2.
What are the key properties of 2-(5-bromopentoxy)phenol?
2-(5-bromopentoxy)phenol has a molecular weight of 259.14 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentoxy)phenol is sourced from PubChem (CID 13197601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).