Chemical ID: 6762078

CC1(CC(c2c1ccc(c2)O)(C)c3ccc(cc3)O)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue