2-(2-bromocyclohex-2-en-1-yl)phenol

C12H13BrO — CID 135033672

IUPAC2-(2-bromocyclohex-2-en-1-yl)phenol
SMILESOc1ccccc1C1CCCC=C1Br
InChIInChI=1S/C12H13BrO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2,4,6-9,14H,1,3,5H2
InChIKeyYYCZXLHLKOUYCX-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.94
Rot. Bonds1

About 2-(2-bromocyclohex-2-en-1-yl)phenol

2-(2-bromocyclohex-2-en-1-yl)phenol (PubChem CID 135033672) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(2-bromocyclohex-2-en-1-yl)phenol.

Molecular Properties

Compound Name2-(2-bromocyclohex-2-en-1-yl)phenol
PubChem CID135033672
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name2-(2-bromocyclohex-2-en-1-yl)phenol
SMILESOc1ccccc1C1CCCC=C1Br
InChIInChI=1S/C12H13BrO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2,4,6-9,14H,1,3,5H2
InChIKeyYYCZXLHLKOUYCX-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocyclohex-2-en-1-yl)phenol?
The IUPAC name of 2-(2-bromocyclohex-2-en-1-yl)phenol (CID 135033672) is 2-(2-bromocyclohex-2-en-1-yl)phenol.
What is the SMILES notation for 2-(2-bromocyclohex-2-en-1-yl)phenol?
The canonical SMILES for 2-(2-bromocyclohex-2-en-1-yl)phenol is Oc1ccccc1C1CCCC=C1Br.
What is the InChIKey of 2-(2-bromocyclohex-2-en-1-yl)phenol?
The InChIKey is YYCZXLHLKOUYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2,4,6-9,14H,1,3,5H2.
What are the key properties of 2-(2-bromocyclohex-2-en-1-yl)phenol?
2-(2-bromocyclohex-2-en-1-yl)phenol has a molecular weight of 253.14 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclohex-2-en-1-yl)phenol is sourced from PubChem (CID 135033672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).