4-bromo-2-(cyclohexen-1-yl)phenol

C12H13BrO — CID 102534087

IUPAC4-bromo-2-(cyclohexen-1-yl)phenol
SMILESOc1ccc(Br)cc1C1=CCCCC1
InChIInChI=1S/C12H13BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h4,6-8,14H,1-3,5H2
InChIKeyCRFHZNCWLLFADR-UHFFFAOYSA-N
MW253.14 g/mol
LogP4.11
Rot. Bonds1

About 4-bromo-2-(cyclohexen-1-yl)phenol

4-bromo-2-(cyclohexen-1-yl)phenol (PubChem CID 102534087) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is 4-bromo-2-(cyclohexen-1-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(cyclohexen-1-yl)phenol
PubChem CID102534087
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name4-bromo-2-(cyclohexen-1-yl)phenol
SMILESOc1ccc(Br)cc1C1=CCCCC1
InChIInChI=1S/C12H13BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h4,6-8,14H,1-3,5H2
InChIKeyCRFHZNCWLLFADR-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54545059
4-bromo-2-(2-hydroxyphenyl)phenol
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4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene
CID 66968489
N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 24759611
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
4-bromo-2-(5-bromo-2-methylphenyl)phenol
CID 170237414
6-bromo-3-(cyclopenten-1-yl)-2-fluorophenol
CID 153220792
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole
CID 172504647
4-(cyclohexen-1-yl)-3-iodonaphthalen-2-ol
CID 11695983
2,6-di(cyclopenten-1-yl)-4-methylphenol
CID 154162102

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclohexen-1-yl)phenol?
The IUPAC name of 4-bromo-2-(cyclohexen-1-yl)phenol (CID 102534087) is 4-bromo-2-(cyclohexen-1-yl)phenol.
What is the SMILES notation for 4-bromo-2-(cyclohexen-1-yl)phenol?
The canonical SMILES for 4-bromo-2-(cyclohexen-1-yl)phenol is Oc1ccc(Br)cc1C1=CCCCC1.
What is the InChIKey of 4-bromo-2-(cyclohexen-1-yl)phenol?
The InChIKey is CRFHZNCWLLFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h4,6-8,14H,1-3,5H2.
What are the key properties of 4-bromo-2-(cyclohexen-1-yl)phenol?
4-bromo-2-(cyclohexen-1-yl)phenol has a molecular weight of 253.14 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclohexen-1-yl)phenol is sourced from PubChem (CID 102534087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).