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Chemical ID: 5126630
Chemical ID:
5126630
Name [?]:
diphenyl-tetrahydrofuran-2-yl-methanol
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(C3CCCO3)O
InChi [?]:
InChI=1/C17H18O2/c18-17(16-12-7-13-19-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,16,3,5,9,13,15,17,4,8,14,7,19,18/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)/rA:19cCCCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;s16;s14s17;s7;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.02367 |
Area: | 430.686 |
Solvation: | -3.74348 |
Coulombic: | -28.5735 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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