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Chemical ID: 5753222
Chemical ID:
5753222
Name [?]:
2,2-dimethyl-3-(2-quinolyl)benzofuran-3-ol
SMILES [?]:
CC1(C(c2ccccc2O1)(c3ccc4ccccc4n3)O)C
InChi [?]:
InChI=1/C19H17NO2/c1-18(2)19(21,14-8-4-6-10-16(14)22-18)17-12-11-13-7-3-5-9-15(13)20-17/h3-12,21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,16,6,17,7,15,5,18,8,13,12,14,4,19,9,11,2,3,20,21,10/E:(1,2)/rA:22cCCCCCCCCCOCCCCCCCCCNOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.59272 |
Area: | 455.632 |
Solvation: | -2.79808 |
Coulombic: | -34.8088 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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