Chemical ID: 4154059

CCCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3cc(ccc3C)C
Chemical ID:
4154059
Name [?]:
propyl 2-[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl]oxypropanoate
SMILES [?]:
CCCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3cc(ccc3C)C
InChi [?]:
InChI=1/C23H24O6/c1-5-10-26-23(25)16(4)28-17-8-9-18-20(12-17)27-13-21(22(18)24)29-19-11-14(2)6-7-15(19)3/h6-9,11-13,16H,5,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,8,2,25,26,11,12,3,23,15,17,24,27,7,10,13,22,14,18,19,5,20,6,4,16,9,21/rA:29cCCCOCOCCOCCCCCCOCCCOOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.1277
Area:639.048
Solvation:-4.8485
Coulombic:-52.6122
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:396.433
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.07
LogP (Chemaxon):5.2

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Descriptor Annotations

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