Chemical ID: 4197561

COc1ccc2c(c1)CCC(=Cc3ccccc3)C2=O
Chemical ID:
4197561
Name [?]:
2-benzylidene-6-methoxy-tetralin-1-one
SMILES [?]:
COc1ccc2c(c1)CCC(=Cc3ccccc3)C2=O
InChi [?]:
InChI=1/C18H16O2/c1-20-16-9-10-17-14(12-16)7-8-15(18(17)19)11-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,9,10,4,5,12,8,13,7,11,3,6,19,20,2/E:(3,4)(5,6)/rA:20nCOCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;w11;s12;s13;d14;s15;d16;d13s17;s6s11;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.39631
Area:455.788
Solvation:-2.9984
Coulombic:-18.4809
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:264.318
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.79
LogP (Chemaxon):4.0

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