[3-(bromomethoxy)phenyl]cycloheptane

C14H19BrO — CID 91085050

IUPAC[3-(bromomethoxy)phenyl]cycloheptane
SMILESBrCOc1cccc(C2CCCCCC2)c1
InChIInChI=1S/C14H19BrO/c15-11-16-14-9-5-8-13(10-14)12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11H2
InChIKeyZIOBIYMJNKYPPC-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.86
Rot. Bonds3

About [3-(bromomethoxy)phenyl]cycloheptane

[3-(bromomethoxy)phenyl]cycloheptane (PubChem CID 91085050) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is [3-(bromomethoxy)phenyl]cycloheptane.

Molecular Properties

Compound Name[3-(bromomethoxy)phenyl]cycloheptane
PubChem CID91085050
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name[3-(bromomethoxy)phenyl]cycloheptane
SMILESBrCOc1cccc(C2CCCCCC2)c1
InChIInChI=1S/C14H19BrO/c15-11-16-14-9-5-8-13(10-14)12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11H2
InChIKeyZIOBIYMJNKYPPC-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene
CID 135329654
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
tris(3-cyclohexylphenyl) phosphate
CID 67160714
2-(3-cyclopropylphenoxy)ethanamine
CID 89209631
1-cyclohexyl-3-iodobenzene
CID 155943278
3-(3-cyclobutylphenoxy)-2,2-dimethylpropan-1-ol
CID 114601512
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
3-cycloheptylaniline
CID 22019641
3-cyclohexylphenol
CID 16036
(3-cyclohexylphenyl)methanethiol
CID 22000684
(3-cycloheptylphenyl)methanol
CID 84672634
1-cyclopropyl-3-(propoxymethoxy)benzene
CID 70085306

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethoxy)phenyl]cycloheptane?
The IUPAC name of [3-(bromomethoxy)phenyl]cycloheptane (CID 91085050) is [3-(bromomethoxy)phenyl]cycloheptane.
What is the SMILES notation for [3-(bromomethoxy)phenyl]cycloheptane?
The canonical SMILES for [3-(bromomethoxy)phenyl]cycloheptane is BrCOc1cccc(C2CCCCCC2)c1.
What is the InChIKey of [3-(bromomethoxy)phenyl]cycloheptane?
The InChIKey is ZIOBIYMJNKYPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-11-16-14-9-5-8-13(10-14)12-6-3-1-2-4-7-12/h5,8-10,12H,1-4,6-7,11H2.
What are the key properties of [3-(bromomethoxy)phenyl]cycloheptane?
[3-(bromomethoxy)phenyl]cycloheptane has a molecular weight of 283.21 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethoxy)phenyl]cycloheptane is sourced from PubChem (CID 91085050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).