1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene

C15H19BrO2 — CID 135329654

IUPAC1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene
SMILESCOC=C1CCC(c2cccc(OCBr)c2)CC1
InChIInChI=1S/C15H19BrO2/c1-17-10-12-5-7-13(8-6-12)14-3-2-4-15(9-14)18-11-16/h2-4,9-10,13H,5-8,11H2,1H3/b12-10-
InChIKeyGFVMIZXGNGUJMO-BENRWUELSA-N
MW311.22 g/mol
LogP4.61
Rot. Bonds4

About 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene

1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene (PubChem CID 135329654) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene.

Molecular Properties

Compound Name1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene
PubChem CID135329654
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene
SMILESCOC=C1CCC(c2cccc(OCBr)c2)CC1
InChIInChI=1S/C15H19BrO2/c1-17-10-12-5-7-13(8-6-12)14-3-2-4-15(9-14)18-11-16/h2-4,9-10,13H,5-8,11H2,1H3/b12-10-
InChIKeyGFVMIZXGNGUJMO-BENRWUELSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 91085050
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1-methoxy-3-(4-methylidenecyclohexyl)benzene
CID 89380194
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CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
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CID 70274289
1-cyclopropyl-3-(propoxymethoxy)benzene
CID 70085306
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CID 114601512
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CID 3030189
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CID 115033332

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene?
The IUPAC name of 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene (CID 135329654) is 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene.
What is the SMILES notation for 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene?
The canonical SMILES for 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene is COC=C1CCC(c2cccc(OCBr)c2)CC1.
What is the InChIKey of 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene?
The InChIKey is GFVMIZXGNGUJMO-BENRWUELSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-17-10-12-5-7-13(8-6-12)14-3-2-4-15(9-14)18-11-16/h2-4,9-10,13H,5-8,11H2,1H3/b12-10-.
What are the key properties of 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene?
1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene has a molecular weight of 311.22 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene is sourced from PubChem (CID 135329654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).