(1-bromocyclohexyl)methanol

C7H13BrO — CID 86185872

IUPAC(1-bromocyclohexyl)methanol
SMILESOCC1(Br)CCCCC1
InChIInChI=1S/C7H13BrO/c8-7(6-9)4-2-1-3-5-7/h9H,1-6H2
InChIKeyCYDRKXHUMYSOCG-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.08
Rot. Bonds1

About (1-bromocyclohexyl)methanol

(1-bromocyclohexyl)methanol (PubChem CID 86185872) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is (1-bromocyclohexyl)methanol.

Molecular Properties

Compound Name(1-bromocyclohexyl)methanol
PubChem CID86185872
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name(1-bromocyclohexyl)methanol
SMILESOCC1(Br)CCCCC1
InChIInChI=1S/C7H13BrO/c8-7(6-9)4-2-1-3-5-7/h9H,1-6H2
InChIKeyCYDRKXHUMYSOCG-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-bromocyclohexyl)methanol?
The IUPAC name of (1-bromocyclohexyl)methanol (CID 86185872) is (1-bromocyclohexyl)methanol.
What is the SMILES notation for (1-bromocyclohexyl)methanol?
The canonical SMILES for (1-bromocyclohexyl)methanol is OCC1(Br)CCCCC1.
What is the InChIKey of (1-bromocyclohexyl)methanol?
The InChIKey is CYDRKXHUMYSOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c8-7(6-9)4-2-1-3-5-7/h9H,1-6H2.
What are the key properties of (1-bromocyclohexyl)methanol?
(1-bromocyclohexyl)methanol has a molecular weight of 193.08 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromocyclohexyl)methanol is sourced from PubChem (CID 86185872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).