Chemical ID: 5099670

CC(c1ccccc1)Oc2ccc(cc2)Cl
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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Descriptor Annotations

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