Chemical ID: 5753222

CC1(C(c2ccccc2O1)(c3ccc4ccccc4n3)O)C
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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Descriptor Annotations

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