Chemical ID: 6424646

CCCCCc1ccc(cc1)c2ccc(cc2)C3(CCC(=O)CC3)O
Chemical ID:
6424646
Name [?]:
4-hydroxy-4-[4-(4-pentylphenyl)phenyl]-cyclohexan-1-one
SMILES [?]:
CCCCCc1ccc(cc1)c2ccc(cc2)C3(CCC(=O)CC3)O
InChi [?]:
InChI=1/C23H28O2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(25)16-14-22(24)15-17-23/h6-13,25H,2-5,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,7,11,8,10,13,17,14,16,20,23,19,24,6,9,12,15,21,18,22,25/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:25nCCCCCCCCCCCCCCCCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;d21;s21;s18s23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4397
Area:583.511
Solvation:-3.14809
Coulombic:-27.3346
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.467
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.69
LogP (Chemaxon):5.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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