5-(1-bromopentyl)benzene-1,3-diol

C11H15BrO2 — CID 54428742

IUPAC5-(1-bromopentyl)benzene-1,3-diol
SMILESCCCCC(Br)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15BrO2/c1-2-3-4-11(12)8-5-9(13)7-10(14)6-8/h5-7,11,13-14H,2-4H2,1H3
InChIKeyWFZLFEWIUBEBFQ-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.72
Rot. Bonds4

About 5-(1-bromopentyl)benzene-1,3-diol

5-(1-bromopentyl)benzene-1,3-diol (PubChem CID 54428742) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 5-(1-bromopentyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(1-bromopentyl)benzene-1,3-diol
PubChem CID54428742
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name5-(1-bromopentyl)benzene-1,3-diol
SMILESCCCCC(Br)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15BrO2/c1-2-3-4-11(12)8-5-9(13)7-10(14)6-8/h5-7,11,13-14H,2-4H2,1H3
InChIKeyWFZLFEWIUBEBFQ-UHFFFAOYSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(1R,2S)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171261146
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171266832
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol;hydrochloride
CID 171266833
5-nonan-2-ylbenzene-1,3-diol
CID 15347172
5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene
CID 65427554
4-(2-methylheptan-3-yl)phenol
CID 174396505
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418
6-(1-bromopentyl)-2,3-dihydro-1,4-benzodioxine
CID 61096500
3-octan-4-ylphenol
CID 54137408
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromopentyl)benzene-1,3-diol?
The IUPAC name of 5-(1-bromopentyl)benzene-1,3-diol (CID 54428742) is 5-(1-bromopentyl)benzene-1,3-diol.
What is the SMILES notation for 5-(1-bromopentyl)benzene-1,3-diol?
The canonical SMILES for 5-(1-bromopentyl)benzene-1,3-diol is CCCCC(Br)c1cc(O)cc(O)c1.
What is the InChIKey of 5-(1-bromopentyl)benzene-1,3-diol?
The InChIKey is WFZLFEWIUBEBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-2-3-4-11(12)8-5-9(13)7-10(14)6-8/h5-7,11,13-14H,2-4H2,1H3.
What are the key properties of 5-(1-bromopentyl)benzene-1,3-diol?
5-(1-bromopentyl)benzene-1,3-diol has a molecular weight of 259.14 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromopentyl)benzene-1,3-diol is sourced from PubChem (CID 54428742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).