Chemical ID: 5122457

CC1C2CCc3ccc(cc3C2(CCC1=O)C)OC
Chemical ID:
5122457
Name [?]:
6-methoxy-1,4a-dimethyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one
SMILES [?]:
CC1C2CCc3ccc(cc3C2(CCC1=O)C)OC
InChi [?]:
InChI=1/C17H22O2/c1-11-14-7-5-12-4-6-13(19-3)10-15(12)17(14,2)9-8-16(11)18/h4,6,10-11,14H,5,7-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,19,7,5,8,4,14,13,10,2,6,9,3,11,15,12,16,18/rA:19cCCCCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s3s11;s12;s13;s2s14;d15;s12;s9;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:7.40331
Area:422.943
Solvation:-3.17026
Coulombic:-15.476
Bond Count [?]
All:21
Single:17
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:258.355
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.42
LogP (Chemaxon):4.11

Name Annotations

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Descriptor Annotations

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