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Chemical ID: 3966636
Chemical ID:
3966636
Name [?]:
1-phenylpentan-1-ol
SMILES [?]:
CCCCC(c1ccccc1)O
InChi [?]:
InChI=1/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,9,8,10,7,11,4,6,5,12/E:(5,6)(7,8)/rA:12cCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.3111 |
Area: | 357.765 |
Solvation: | -1.63301 |
Coulombic: | -19.8001 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 164.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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