4-bromo-3-(1-hydroxycyclopentyl)phenol

C11H13BrO2 — CID 117104137

IUPAC4-bromo-3-(1-hydroxycyclopentyl)phenol
SMILESOc1ccc(Br)c(C2(O)CCCC2)c1
InChIInChI=1S/C11H13BrO2/c12-10-4-3-8(13)7-9(10)11(14)5-1-2-6-11/h3-4,7,13-14H,1-2,5-6H2
InChIKeyNDCRNRBEBIPWNN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.92
Rot. Bonds1

About 4-bromo-3-(1-hydroxycyclopentyl)phenol

4-bromo-3-(1-hydroxycyclopentyl)phenol (PubChem CID 117104137) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-3-(1-hydroxycyclopentyl)phenol.

Molecular Properties

Compound Name4-bromo-3-(1-hydroxycyclopentyl)phenol
PubChem CID117104137
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name4-bromo-3-(1-hydroxycyclopentyl)phenol
SMILESOc1ccc(Br)c(C2(O)CCCC2)c1
InChIInChI=1S/C11H13BrO2/c12-10-4-3-8(13)7-9(10)11(14)5-1-2-6-11/h3-4,7,13-14H,1-2,5-6H2
InChIKeyNDCRNRBEBIPWNN-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
4-bromo-3-(1-isocyanatocyclobutyl)phenol
CID 117423675
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237
3-(2-bromo-5-chlorophenyl)piperidin-3-ol
CID 117103863
1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol
CID 117104296
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
CID 138609278
1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506
3-bromo-4-(1-isocyanatocyclopentyl)phenol
CID 117452968
4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 117104002
1-(2,4-dibromophenyl)cyclopropan-1-ol
CID 107957829
(3S)-3-(2-bromophenyl)thian-3-ol
CID 125041514
1-(2-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 62788885

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1-hydroxycyclopentyl)phenol?
The IUPAC name of 4-bromo-3-(1-hydroxycyclopentyl)phenol (CID 117104137) is 4-bromo-3-(1-hydroxycyclopentyl)phenol.
What is the SMILES notation for 4-bromo-3-(1-hydroxycyclopentyl)phenol?
The canonical SMILES for 4-bromo-3-(1-hydroxycyclopentyl)phenol is Oc1ccc(Br)c(C2(O)CCCC2)c1.
What is the InChIKey of 4-bromo-3-(1-hydroxycyclopentyl)phenol?
The InChIKey is NDCRNRBEBIPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-10-4-3-8(13)7-9(10)11(14)5-1-2-6-11/h3-4,7,13-14H,1-2,5-6H2.
What are the key properties of 4-bromo-3-(1-hydroxycyclopentyl)phenol?
4-bromo-3-(1-hydroxycyclopentyl)phenol has a molecular weight of 257.13 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(1-hydroxycyclopentyl)phenol is sourced from PubChem (CID 117104137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).