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Chemical ID: 5250707
Chemical ID:
5250707
Name [?]:
4-(4-methoxyphenyl)butan-2-ol
SMILES [?]:
CC(CCc1ccc(cc1)OC)O
InChi [?]:
InChI=1/C11H16O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9,12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,3,4,6,10,7,9,2,5,8,13,11/E:(5,6)(7,8)/rA:13cCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.22207 |
Area: | 371.963 |
Solvation: | -3.07701 |
Coulombic: | -25.0523 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.1 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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