(3,4-dibromocyclohexyl)methanol

C7H12Br2O — CID 21396882

IUPAC(3,4-dibromocyclohexyl)methanol
SMILESOCC1CCC(Br)C(Br)C1
InChIInChI=1S/C7H12Br2O/c8-6-2-1-5(4-10)3-7(6)9/h5-7,10H,1-4H2
InChIKeyBLTDYBWKCGFLRQ-UHFFFAOYSA-N
MW271.98 g/mol
LogP2.31
Rot. Bonds1

About (3,4-dibromocyclohexyl)methanol

(3,4-dibromocyclohexyl)methanol (PubChem CID 21396882) has the molecular formula C7H12Br2O and a molecular weight of 271.98 g/mol. Its IUPAC name is (3,4-dibromocyclohexyl)methanol.

Molecular Properties

Compound Name(3,4-dibromocyclohexyl)methanol
PubChem CID21396882
Molecular FormulaC7H12Br2O
Molecular Weight271.98 g/mol
Exact Mass269.93
IUPAC Name(3,4-dibromocyclohexyl)methanol
SMILESOCC1CCC(Br)C(Br)C1
InChIInChI=1S/C7H12Br2O/c8-6-2-1-5(4-10)3-7(6)9/h5-7,10H,1-4H2
InChIKeyBLTDYBWKCGFLRQ-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.98
LogP ≤ 52.31
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 (3,4-dibromocyclohexyl)methanol?
The IUPAC name of (3,4-dibromocyclohexyl)methanol (CID 21396882) is (3,4-dibromocyclohexyl)methanol.
What is the SMILES notation for (3,4-dibromocyclohexyl)methanol?
The canonical SMILES for (3,4-dibromocyclohexyl)methanol is OCC1CCC(Br)C(Br)C1.
What is the InChIKey of (3,4-dibromocyclohexyl)methanol?
The InChIKey is BLTDYBWKCGFLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br2O/c8-6-2-1-5(4-10)3-7(6)9/h5-7,10H,1-4H2.
What are the key properties of (3,4-dibromocyclohexyl)methanol?
(3,4-dibromocyclohexyl)methanol has a molecular weight of 271.98 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dibromocyclohexyl)methanol is sourced from PubChem (CID 21396882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).