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Chemical ID: 5099670
Chemical ID:
5099670
Name [?]:
1-chloro-4-(1-phenylethoxy)benzene
SMILES [?]:
CC(c1ccccc1)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H13ClO/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,12,14,11,15,2,3,13,10,16,9/E:(3,4)(5,6)(7,8)(9,10)/rA:16cCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.74427 |
Area: | 421.066 |
Solvation: | -1.78238 |
Coulombic: | -11.4046 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.705 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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