(1-bromocycloheptyl)methanol

C8H15BrO — CID 134992800

IUPAC(1-bromocycloheptyl)methanol
SMILESOCC1(Br)CCCCCC1
InChIInChI=1S/C8H15BrO/c9-8(7-10)5-3-1-2-4-6-8/h10H,1-7H2
InChIKeyHTQIZJVMRGAPPN-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.47
Rot. Bonds1

About (1-bromocycloheptyl)methanol

(1-bromocycloheptyl)methanol (PubChem CID 134992800) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is (1-bromocycloheptyl)methanol.

Molecular Properties

Compound Name(1-bromocycloheptyl)methanol
PubChem CID134992800
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name(1-bromocycloheptyl)methanol
SMILESOCC1(Br)CCCCCC1
InChIInChI=1S/C8H15BrO/c9-8(7-10)5-3-1-2-4-6-8/h10H,1-7H2
InChIKeyHTQIZJVMRGAPPN-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.47
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

(1-bromocyclohexyl)methanol
CID 86185872
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
1-bromo-1-propylcyclohexane
CID 23364805
1-bromo-1-(methoxymethyl)cyclohexane
CID 12542396
(1-methylcyclododecyl)methanol
CID 70130772
(1-aminocyclodecyl)methanol
CID 66910735
1-bromo-1-(1-bromocyclopentyl)cycloheptane
CID 10087590
1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
CID 154235740
(1-ethylcycloheptyl)methanol
CID 56982411
[1-(hydroxymethyl)cyclohexyl]methanol;oxalic acid
CID 175865144
[1-(fluoromethyl)cycloheptyl]methanol
CID 84764269
CID 173229851
CID 173229851

Frequently Asked Questions

What is the IUPAC name of (1-bromocycloheptyl)methanol?
The IUPAC name of (1-bromocycloheptyl)methanol (CID 134992800) is (1-bromocycloheptyl)methanol.
What is the SMILES notation for (1-bromocycloheptyl)methanol?
The canonical SMILES for (1-bromocycloheptyl)methanol is OCC1(Br)CCCCCC1.
What is the InChIKey of (1-bromocycloheptyl)methanol?
The InChIKey is HTQIZJVMRGAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c9-8(7-10)5-3-1-2-4-6-8/h10H,1-7H2.
What are the key properties of (1-bromocycloheptyl)methanol?
(1-bromocycloheptyl)methanol has a molecular weight of 207.11 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromocycloheptyl)methanol is sourced from PubChem (CID 134992800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).