1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene

C17H25BrO2 — CID 63468796

IUPAC1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene
SMILESCCC1CCC(CBr)(OCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25BrO2/c1-3-14-7-9-17(13-18,10-8-14)20-12-15-5-4-6-16(11-15)19-2/h4-6,11,14H,3,7-10,12-13H2,1-2H3
InChIKeyLGBLFFADUYFJLX-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.95
Rot. Bonds6

About 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene

1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene (PubChem CID 63468796) has the molecular formula C17H25BrO2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene
PubChem CID63468796
Molecular FormulaC17H25BrO2
Molecular Weight341.29 g/mol
Exact Mass340.10
IUPAC Name1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene
SMILESCCC1CCC(CBr)(OCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25BrO2/c1-3-14-7-9-17(13-18,10-8-14)20-12-15-5-4-6-16(11-15)19-2/h4-6,11,14H,3,7-10,12-13H2,1-2H3
InChIKeyLGBLFFADUYFJLX-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene
CID 141398507
5-ethyl-2-[2-(3-methoxyphenyl)ethyl]cycloheptan-1-one
CID 123788448
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103272972
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
N-cyclopropyl-N-(4-ethylcyclohexyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55763496
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(3-methoxyphenyl)propanamide
CID 55593600
[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
CID 65052704
7-ethyl-N-[(3-methoxyphenyl)methyl]spiro[3.4]octane-2-carboxamide
CID 163236422
1-methoxy-3-propylbenzene
CID 14270128

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene?
The IUPAC name of 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene (CID 63468796) is 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene?
The canonical SMILES for 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene is CCC1CCC(CBr)(OCc2cccc(OC)c2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene?
The InChIKey is LGBLFFADUYFJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrO2/c1-3-14-7-9-17(13-18,10-8-14)20-12-15-5-4-6-16(11-15)19-2/h4-6,11,14H,3,7-10,12-13H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene?
1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene has a molecular weight of 341.29 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene is sourced from PubChem (CID 63468796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).