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Chemical ID: 7159887
Chemical ID:
7159887
Name [?]:
[4-[(2-chlorophenyl)methoxy]phenyl]methanol
SMILES [?]:
c1ccc(c(c1)COc2ccc(cc2)CO)Cl
InChi [?]:
InChI=1/C14H13ClO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-8,16H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,13,10,14,15,7,12,5,9,4,17,16,8/E:(5,6)(7,8)/rA:17nCCCCCCCOCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClO2 |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92307 |
Area: | 439.797 |
Solvation: | -3.07186 |
Coulombic: | -27.2541 |
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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