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Chemical ID: 4259304
Chemical ID:
4259304
Name [?]:
bis(4-methoxyphenyl)methanol
SMILES [?]:
COc1ccc(cc1)C(c2ccc(cc2)OC)O
InChi [?]:
InChI=1/C15H16O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,5,7,11,15,4,8,12,14,6,10,3,13,9,18,2,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:18nCOCCCCCCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s13;s16;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.05615 |
Area: | 436.105 |
Solvation: | -4.84648 |
Coulombic: | -32.9448 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 244.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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