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Chemical ID: 7154881
Chemical ID:
7154881
Name [?]:
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methanol
SMILES [?]:
c1cc(cc(c1)OCc2ccc(cc2Cl)Cl)CO
InChi [?]:
InChI=1/C14H12Cl2O2/c15-12-5-4-11(14(16)7-12)9-18-13-3-1-2-10(6-13)8-17/h1-7,17H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,4,13,17,8,3,9,12,5,14,16,15,18,7/rA:18nCCCCCCOCCCCCCCClClCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s3;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl2O2 |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83063 |
Area: | 475.541 |
Solvation: | -3.0579 |
Coulombic: | -27.1518 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.149 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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