(4-bromocyclohexyl)methanol

C7H13BrO — CID 20705723

IUPAC(4-bromocyclohexyl)methanol
SMILESOCC1CCC(Br)CC1
InChIInChI=1S/C7H13BrO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5H2
InChIKeyJZRLVLTXLPBSJJ-UHFFFAOYSA-N
MW193.08 g/mol
LogP1.93
Rot. Bonds1

About (4-bromocyclohexyl)methanol

(4-bromocyclohexyl)methanol (PubChem CID 20705723) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is (4-bromocyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromocyclohexyl)methanol
PubChem CID20705723
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name(4-bromocyclohexyl)methanol
SMILESOCC1CCC(Br)CC1
InChIInChI=1S/C7H13BrO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5H2
InChIKeyJZRLVLTXLPBSJJ-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Bromomethyl)cyclohexan-1-ol
CID 13077096
4-(Bromomethyl)cyclohexan-1-ol
CID 21832707
(2S)-2-bromo-2-cyclohexylethanol
CID 10512502
(1-Bromocyclohexyl)methanol
CID 86185872
(4-Bromo-2-fluorocyclohexyl)methanol
CID 89043075
(2R)-2-bromo-2-cyclohexylethanol
CID 130691256
(2R)-2-bromo-3-cyclohexylpropan-1-ol
CID 135056962
2-Bromo-2-(3,4-dibromocyclohexyl)ethanol
CID 139595322
(4-(Bromomethyl)cyclohexyl)methanol
CID 18658241
2-(2-Bromocyclohexyl)ethanol
CID 19359631
(3,4-Dibromocyclohexyl)methanol
CID 21396882
1-Cyclohexyl-2-bromoethanol
CID 21619365

Frequently Asked Questions

What is the IUPAC name of (4-bromocyclohexyl)methanol?
The IUPAC name of (4-bromocyclohexyl)methanol (CID 20705723) is (4-bromocyclohexyl)methanol.
What is the SMILES notation for (4-bromocyclohexyl)methanol?
The canonical SMILES for (4-bromocyclohexyl)methanol is OCC1CCC(Br)CC1.
What is the InChIKey of (4-bromocyclohexyl)methanol?
The InChIKey is JZRLVLTXLPBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5H2.
What are the key properties of (4-bromocyclohexyl)methanol?
(4-bromocyclohexyl)methanol has a molecular weight of 193.08 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromocyclohexyl)methanol is sourced from PubChem (CID 20705723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).