Chemical ID: 6129388

CC1Cc2cc(ccc2O1)C(=O)c3ccc(cc3)OC
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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