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Chemical ID: 4983248
Chemical ID:
4983248
Name [?]:
2-(4-hydroxyphenyl)-1-propyl-indan-5-ol
SMILES [?]:
CCCC1c2ccc(cc2CC1c3ccc(cc3)O)O
InChi [?]:
InChI=1/C18H20O2/c1-2-3-17-16-9-8-15(20)10-13(16)11-18(17)12-4-6-14(19)7-5-12/h4-10,17-20H,2-3,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,14,18,15,17,7,6,9,11,13,10,16,8,5,4,12,19,20/E:(4,5)(6,7)/rA:20cCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;s12;s13;d14;s15;d16;d13s17;s16;s8;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.59355 |
Area: | 447.848 |
Solvation: | -2.60265 |
Coulombic: | -34.9139 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.35 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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