6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

C14H16N2O3 — CID 114715305

IUPAC6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(c1cncn1C)O2
InChIInChI=1S/C14H16N2O3/c1-16-8-15-7-11(16)14-6-12(17)10-5-9(18-2)3-4-13(10)19-14/h3-5,7-8,12,14,17H,6H2,1-2H3
InChIKeyZJFLPAQJDQQKPU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.99
Rot. Bonds2

About 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715305) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715305
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(c1cncn1C)O2
InChIInChI=1S/C14H16N2O3/c1-16-8-15-7-11(16)14-6-12(17)10-5-9(18-2)3-4-13(10)19-14/h3-5,7-8,12,14,17H,6H2,1-2H3
InChIKeyZJFLPAQJDQQKPU-UHFFFAOYSA-N
XLogP1.99
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946805
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709851
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762
7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710872
(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948826
(4S)-7-fluoro-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951809
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715340
(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951048
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715443

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114715305) is 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)C(O)CC(c1cncn1C)O2.
What is the InChIKey of 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZJFLPAQJDQQKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-8-15-7-11(16)14-6-12(17)10-5-9(18-2)3-4-13(10)19-14/h3-5,7-8,12,14,17H,6H2,1-2H3.
What are the key properties of 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 260.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).