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Chemical ID: 6762078
Chemical ID:
6762078
Name [?]:
3-(4-hydroxyphenyl)-1,1,3-trimethyl-indan-5-ol
SMILES [?]:
CC1(CC(c2c1ccc(c2)O)(C)c3ccc(cc3)O)C
InChi [?]:
InChI=1/C18H20O2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17/h4-10,19-20H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,12,14,18,15,17,8,7,10,3,13,16,9,6,5,2,4,19,11/E:(1,2)(4,5)(6,7)/rA:20cCCCCCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;d6;s7;d8;d5s9;s9;s4;s4;s13;d14;s15;d16;d13s17;s16;s2;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20O2 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.57028 |
Area: | 447.102 |
Solvation: | -2.60726 |
Coulombic: | -34.9359 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 268.35 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.01 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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