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Chemical ID: 7154811
Chemical ID:
7154811
Name [?]:
[4-[(4-chlorophenyl)methoxy]phenyl]methanol
SMILES [?]:
c1cc(ccc1CO)OCc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H13ClO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8,16H,9-10H2
InChi Info:
AuxInfo=1/0/N:12,16,1,5,13,15,2,4,7,10,6,11,14,3,17,8,9/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCCOOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s3;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClO2 |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62309 |
Area: | 447.797 |
Solvation: | -3.57184 |
Coulombic: | -26.6854 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.705 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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