1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene

C15H20O2 — CID 14446892

IUPAC1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene
SMILESCOCOc1ccccc1CC1=CCCCC1
InChIInChI=1S/C15H20O2/c1-16-12-17-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyLQEUOGOQSXKNSQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.71
Rot. Bonds5

About 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene

1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene (PubChem CID 14446892) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene
PubChem CID14446892
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene
SMILESCOCOc1ccccc1CC1=CCCCC1
InChIInChI=1S/C15H20O2/c1-16-12-17-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyLQEUOGOQSXKNSQ-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethoxy)-2-[(4-phenoxyphenyl)methyl]benzene
CID 141142570
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
1-(methoxymethyl)cycloheptene
CID 66889077
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43766332
2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54847740
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210027
[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
7-[2-(methoxymethoxy)phenyl]heptan-1-ol
CID 15737185

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene?
The IUPAC name of 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene (CID 14446892) is 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene.
What is the SMILES notation for 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene?
The canonical SMILES for 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene is COCOc1ccccc1CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene?
The InChIKey is LQEUOGOQSXKNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-16-12-17-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h5-7,9-10H,2-4,8,11-12H2,1H3.
What are the key properties of 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene?
1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene has a molecular weight of 232.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylmethyl)-2-(methoxymethoxy)benzene is sourced from PubChem (CID 14446892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).