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Chemical ID: 4729447
Chemical ID:
4729447
Name [?]:
1-(4-methoxyphenyl)-1-phenyl-ethanol
SMILES [?]:
CC(c1ccccc1)(c2ccc(cc2)OC)O
InChi [?]:
InChI=1/C15H16O2/c1-15(16,12-6-4-3-5-7-12)13-8-10-14(17-2)11-9-13/h3-11,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,6,5,7,4,8,10,14,11,13,3,9,12,2,17,15/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCCCCCCCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s11;d12;d9s13;s12;s15;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.09861 |
Area: | 409.167 |
Solvation: | -3.13056 |
Coulombic: | -27.3128 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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