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Chemical ID: 7089929
Chemical ID:
7089929
Name [?]:
(4-methoxyphenyl)-(m-tolyl)methanol
SMILES [?]:
Cc1cccc(c1)C(c2ccc(cc2)OC)O
InChi [?]:
InChI=1/C15H16O2/c1-11-4-3-5-13(10-11)15(16)12-6-8-14(17-2)9-7-12/h3-10,15-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,4,3,5,10,14,11,13,7,2,9,6,12,8,17,15/E:(6,7)(8,9)/rA:17cCCCCCCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;s8;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O2 |
All Atoms: | 33 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.08654 |
Area: | 418.225 |
Solvation: | -3.36908 |
Coulombic: | -26.6315 |
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: | 3.14 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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