Chemical ID: 6914904

CCC1Cc2cc(ccc2C3=C1c4ccc(cc4CC3CC)O)O
Chemical ID:
6914904
Name [?]:
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
SMILES [?]:
CCC1Cc2cc(ccc2C3=C1c4ccc(cc4CC3CC)O)O
InChi [?]:
InChI=1/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,15,8,14,9,4,19,6,17,3,20,5,18,7,16,13,10,12,11,24,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24cCCCCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s3d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;s20;s21;s16;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24O2
All Atoms:48
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.0378
Area:506.623
Solvation:-2.62772
Coulombic:-34.9742
Bond Count [?]
All:27
Single:20
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.425
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:5.42
LogP (Chemaxon):5.38

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Descriptor Annotations

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