6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol

C13H13ClN2O2 — CID 20530518

IUPAC6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)c2cc(Cl)ccc2OCC1n1ccnc1
InChIInChI=1S/C13H13ClN2O2/c1-13(17)10-6-9(14)2-3-11(10)18-7-12(13)16-5-4-15-8-16/h2-6,8,12,17H,7H2,1H3
InChIKeyGFTDRTHHFCTRRK-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.38
Rot. Bonds1

About 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol

6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol (PubChem CID 20530518) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol
PubChem CID20530518
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol
SMILESCC1(O)c2cc(Cl)ccc2OCC1n1ccnc1
InChIInChI=1S/C13H13ClN2O2/c1-13(17)10-6-9(14)2-3-11(10)18-7-12(13)16-5-4-15-8-16/h2-6,8,12,17H,7H2,1H3
InChIKeyGFTDRTHHFCTRRK-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol?
The IUPAC name of 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol (CID 20530518) is 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol?
The canonical SMILES for 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol is CC1(O)c2cc(Cl)ccc2OCC1n1ccnc1.
What is the InChIKey of 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol?
The InChIKey is GFTDRTHHFCTRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-13(17)10-6-9(14)2-3-11(10)18-7-12(13)16-5-4-15-8-16/h2-6,8,12,17H,7H2,1H3.
What are the key properties of 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol?
6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol has a molecular weight of 264.71 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-imidazol-1-yl-4-methyl-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 20530518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).