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Chemical ID: 4759217
Chemical ID:
4759217
Name [?]:
cyclopropyl-(4-methoxyphenyl)-phenyl-methanol
SMILES [?]:
COc1ccc(cc1)C(c2ccccc2)(C3CC3)O
InChi [?]:
InChI=1/C17H18O2/c1-19-16-11-9-15(10-12-16)17(18,14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,17,18,5,7,4,8,10,16,6,3,9,19,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:19cCOCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s9;s16;s16s17;s9;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.04589 |
Area: | 443.109 |
Solvation: | -3.03183 |
Coulombic: | -27.8427 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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