anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium

C72H132O10Y — CID 159417970

IUPACanisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium
SMILESC.C.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.OCC(O)COc1ccccc1.OCC(O)COc1ccccc1.[Y]
InChIInChI=1S/2C9H12O3.4C7H8O.4C3H8.6C2H6.2CH4.Y/c2*10-6-8(11)7-12-9-4-2-1-3-5-9;4*1-8-7-5-3-2-4-6-7;4*1-3-2;6*1-2;;;/h2*1-5,8,10-11H,6-7H2;4*2-6H,1H3;4*3H2,1-2H3;6*1-2H3;2*1H4;
InChIKeySEPXZKMAVMQOQF-UHFFFAOYSA-N
MW1246.74 g/mol
LogP20.71
Rot. Bonds12

About anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium

anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium (PubChem CID 159417970) has the molecular formula C72H132O10Y and a molecular weight of 1246.74 g/mol. Its IUPAC name is anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium.

Molecular Properties

Compound Nameanisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium
PubChem CID159417970
Molecular FormulaC72H132O10Y
Molecular Weight1246.74 g/mol
Exact Mass1245.89
IUPAC Nameanisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium
SMILESC.C.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.OCC(O)COc1ccccc1.OCC(O)COc1ccccc1.[Y]
InChIInChI=1S/2C9H12O3.4C7H8O.4C3H8.6C2H6.2CH4.Y/c2*10-6-8(11)7-12-9-4-2-1-3-5-9;4*1-8-7-5-3-2-4-6-7;4*1-3-2;6*1-2;;;/h2*1-5,8,10-11H,6-7H2;4*2-6H,1H3;4*3H2,1-2H3;6*1-2H3;2*1H4;
InChIKeySEPXZKMAVMQOQF-UHFFFAOYSA-N
XLogP20.71
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.74
LogP ≤ 520.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methylpropane;tris(3-phenoxypropane-1,2-diol);propane
CID 162110653
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
actinium;3-phenoxypropane-1,2-diol
CID 22981458
ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane
CID 91084100
1-[4-(2,3-dihydroxypropoxy)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 139606541
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516

Frequently Asked Questions

What is the IUPAC name of anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium?
The IUPAC name of anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium (CID 159417970) is anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium.
What is the SMILES notation for anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium?
The canonical SMILES for anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium is C.C.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.OCC(O)COc1ccccc1.OCC(O)COc1ccccc1.[Y].
What is the InChIKey of anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium?
The InChIKey is SEPXZKMAVMQOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12O3.4C7H8O.4C3H8.6C2H6.2CH4.Y/c2*10-6-8(11)7-12-9-4-2-1-3-5-9;4*1-8-7-5-3-2-4-6-7;4*1-3-2;6*1-2;;;/h2*1-5,8,10-11H,6-7H2;4*2-6H,1H3;4*3H2,1-2H3;6*1-2H3;2*1H4;.
What are the key properties of anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium?
anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium has a molecular weight of 1246.74 g/mol, XLogP of 20.71, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium is sourced from PubChem (CID 159417970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).