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Chemical ID: 4260472
Chemical ID:
4260472
Name [?]:
1,1-diphenylpropane-1,2-diol
SMILES [?]:
CC(C(c1ccccc1)(c2ccccc2)O)O
InChi [?]:
InChI=1/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,13,6,8,12,14,5,9,11,15,2,4,10,3,17,16/E:(2,3)(4,5,6,7)(8,9,10,11)(13,14)/rA:17cCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;d11;s12;d13;d10s14;s3;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.63087 |
Area: | 398.511 |
Solvation: | -3.33191 |
Coulombic: | -37.5554 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.286 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.63 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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