1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol

C16H20N2O2 — CID 79752635

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1COc2ccccc2C1
InChIInChI=1S/C16H20N2O2/c1-2-18-8-7-17-16(18)10-14(19)13-9-12-5-3-4-6-15(12)20-11-13/h3-8,13-14,19H,2,9-11H2,1H3
InChIKeyBYZXSYKGTNGJMM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.06
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol

1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 79752635) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID79752635
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1COc2ccccc2C1
InChIInChI=1S/C16H20N2O2/c1-2-18-8-7-17-16(18)10-14(19)13-9-12-5-3-4-6-15(12)20-11-13/h3-8,13-14,19H,2,9-11H2,1H3
InChIKeyBYZXSYKGTNGJMM-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752863
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
CID 65410770
2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 65410962
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 106601006
2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 105405677
2-(1-ethylimidazol-2-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115819256
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylimidazole
CID 6603891
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylimidazole chloride
CID 51371238
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 107005397
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 129347080

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol (CID 79752635) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is BYZXSYKGTNGJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-8-7-17-16(18)10-14(19)13-9-12-5-3-4-6-15(12)20-11-13/h3-8,13-14,19H,2,9-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 79752635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).