2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol

C21H22N2O4 — CID 154816099

IUPAC2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol
SMILESCOc1cccc2c1OCC(n1ccnc1-c1ccccc1OCCO)C2
InChIInChI=1S/C21H22N2O4/c1-25-19-8-4-5-15-13-16(14-27-20(15)19)23-10-9-22-21(23)17-6-2-3-7-18(17)26-12-11-24/h2-10,16,24H,11-14H2,1H3
InChIKeyAZIOMYCQLPAIIB-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.11
Rot. Bonds6

About 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol

2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol (PubChem CID 154816099) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol
PubChem CID154816099
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol
SMILESCOc1cccc2c1OCC(n1ccnc1-c1ccccc1OCCO)C2
InChIInChI=1S/C21H22N2O4/c1-25-19-8-4-5-15-13-16(14-27-20(15)19)23-10-9-22-21(23)17-6-2-3-7-18(17)26-12-11-24/h2-10,16,24H,11-14H2,1H3
InChIKeyAZIOMYCQLPAIIB-UHFFFAOYSA-N
XLogP3.11
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol (CID 154816099) is 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol is COc1cccc2c1OCC(n1ccnc1-c1ccccc1OCCO)C2.
What is the InChIKey of 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol?
The InChIKey is AZIOMYCQLPAIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-19-8-4-5-15-13-16(14-27-20(15)19)23-10-9-22-21(23)17-6-2-3-7-18(17)26-12-11-24/h2-10,16,24H,11-14H2,1H3.
What are the key properties of 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol?
2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol has a molecular weight of 366.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol is sourced from PubChem (CID 154816099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).