(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

C16H20N2O3 — CID 104948826

IUPAC(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCCn1cncc1C1C[C@H](O)c2ccc(OC)cc2O1
InChIInChI=1S/C16H20N2O3/c1-3-6-18-10-17-9-13(18)16-8-14(19)12-5-4-11(20-2)7-15(12)21-16/h4-5,7,9-10,14,16,19H,3,6,8H2,1-2H3/t14-,16?/m0/s1
InChIKeyXNOCBRMXCKCOJG-LBAUFKAWSA-N
MW288.35 g/mol
LogP2.86
Rot. Bonds4

About (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol

(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948826) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948826
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCCn1cncc1C1C[C@H](O)c2ccc(OC)cc2O1
InChIInChI=1S/C16H20N2O3/c1-3-6-18-10-17-9-13(18)16-8-14(19)12-5-4-11(20-2)7-15(12)21-16/h4-5,7,9-10,14,16,19H,3,6,8H2,1-2H3/t14-,16?/m0/s1
InChIKeyXNOCBRMXCKCOJG-LBAUFKAWSA-N
XLogP2.86
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol with MolForge

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Related Compounds

(4R)-6-fluoro-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948434
7-methoxy-2-(3-propylimidazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672575
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715305
(4S)-2-(3-ethylimidazol-4-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951991
7-bromo-2-(3-ethylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714825
7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710872
(4S)-7-fluoro-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951809
7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol
CID 114714331
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715340

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104948826) is (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is CCCn1cncc1C1C[C@H](O)c2ccc(OC)cc2O1.
What is the InChIKey of (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XNOCBRMXCKCOJG-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-6-18-10-17-9-13(18)16-8-14(19)12-5-4-11(20-2)7-15(12)21-16/h4-5,7,9-10,14,16,19H,3,6,8H2,1-2H3/t14-,16?/m0/s1.
What are the key properties of (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 288.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).