6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene

C17H23BrO2 — CID 103165849

IUPAC6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene
SMILESCCOC1CC(CC(Br)c2ccc3c(c2)CCCO3)C1
InChIInChI=1S/C17H23BrO2/c1-2-19-15-8-12(9-15)10-16(18)13-5-6-17-14(11-13)4-3-7-20-17/h5-6,11-12,15-16H,2-4,7-10H2,1H3
InChIKeyXCAWCAQZSLSUCB-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.65
Rot. Bonds5

About 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene

6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene (PubChem CID 103165849) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene
PubChem CID103165849
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene
SMILESCCOC1CC(CC(Br)c2ccc3c(c2)CCCO3)C1
InChIInChI=1S/C17H23BrO2/c1-2-19-15-8-12(9-15)10-16(18)13-5-6-17-14(11-13)4-3-7-20-17/h5-6,11-12,15-16H,2-4,7-10H2,1H3
InChIKeyXCAWCAQZSLSUCB-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.65
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

4-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1,2-diethylbenzene
CID 103166003
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
7-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 103165907
6-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 103165564
6-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene
CID 103557780
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
6-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 62920915
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61097211
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
CID 103167866

Frequently Asked Questions

What is the IUPAC name of 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene (CID 103165849) is 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene is CCOC1CC(CC(Br)c2ccc3c(c2)CCCO3)C1.
What is the InChIKey of 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene?
The InChIKey is XCAWCAQZSLSUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c1-2-19-15-8-12(9-15)10-16(18)13-5-6-17-14(11-13)4-3-7-20-17/h5-6,11-12,15-16H,2-4,7-10H2,1H3.
What are the key properties of 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene?
6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene has a molecular weight of 339.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 103165849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).