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Chemical ID: 6129388
Chemical ID:
6129388
Name [?]:
(4-methoxyphenyl)-(2-methyl-2,3-dihydrobenzofuran-5-yl)-methanone
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C17H16O3/c1-11-9-14-10-13(5-8-16(14)20-11)17(18)12-3-6-15(19-2)7-4-12/h3-8,10-11H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,18,7,15,17,8,3,5,2,13,6,4,16,9,11,12,19,10/E:(3,4)(6,7)/rA:20cCCCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.43428 |
Area: | 460.289 |
Solvation: | -4.07293 |
Coulombic: | -24.4365 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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