Chemical ID: 5575872

CC1=CC(OC(=C1)C)c2ccccc2
Chemical ID:
5575872
Name [?]:
2,4-dimethyl-6-phenyl-6H-pyran
SMILES [?]:
CC1=CC(OC(=C1)C)c2ccccc2
InChi [?]:
InChI=1/C13H14O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-9,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,12,11,13,10,14,7,3,2,6,9,4,5/E:(4,5)(6,7)/rA:14cCCCCOCCCCCCCCC/rB:s1;d2;s3;s4;s5;s2d6;s6;s4;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.45918
Area:368.872
Solvation:-1.76261
Coulombic:-10.1368
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:186.25
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.04
LogP (Chemaxon):2.32

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Descriptor Annotations

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