2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol

C66H68O8 — CID 160930639

IUPAC2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol
SMILESCc1cc(C2(c3ccc(OCC(C)O)c(C)c3)c3ccccc3Cc3ccccc32)ccc1OCC(C)O.Cc1cc(C2(c3ccc(OCCO)c(C)c3)c3ccccc3Cc3ccccc32)ccc1OCCO
InChIInChI=1S/C34H36O4.C32H32O4/c1-22-17-28(13-15-32(22)37-20-24(3)35)34(29-14-16-33(23(2)18-29)38-21-25(4)36)30-11-7-5-9-26(30)19-27-10-6-8-12-31(27)34;1-22-19-26(11-13-30(22)35-17-15-33)32(27-12-14-31(23(2)20-27)36-18-16-34)28-9-5-3-7-24(28)21-25-8-4-6-10-29(25)32/h5-18,24-25,35-36H,19-21H2,1-4H3;3-14,19-20,33-34H,15-18,21H2,1-2H3
InChIKeySTFHJGZZOOOSTF-UHFFFAOYSA-N
MW989.26 g/mol
LogP11.44
Rot. Bonds16

About 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol

2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol (PubChem CID 160930639) has the molecular formula C66H68O8 and a molecular weight of 989.26 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol.

Molecular Properties

Compound Name2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol
PubChem CID160930639
Molecular FormulaC66H68O8
Molecular Weight989.26 g/mol
Exact Mass988.49
IUPAC Name2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol
SMILESCc1cc(C2(c3ccc(OCC(C)O)c(C)c3)c3ccccc3Cc3ccccc32)ccc1OCC(C)O.Cc1cc(C2(c3ccc(OCCO)c(C)c3)c3ccccc3Cc3ccccc32)ccc1OCCO
InChIInChI=1S/C34H36O4.C32H32O4/c1-22-17-28(13-15-32(22)37-20-24(3)35)34(29-14-16-33(23(2)18-29)38-21-25(4)36)30-11-7-5-9-26(30)19-27-10-6-8-12-31(27)34;1-22-19-26(11-13-30(22)35-17-15-33)32(27-12-14-31(23(2)20-27)36-18-16-34)28-9-5-3-7-24(28)21-25-8-4-6-10-29(25)32/h5-18,24-25,35-36H,19-21H2,1-4H3;3-14,19-20,33-34H,15-18,21H2,1-2H3
InChIKeySTFHJGZZOOOSTF-UHFFFAOYSA-N
XLogP11.44
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.26
LogP ≤ 511.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol?
The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol (CID 160930639) is 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol.
What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol?
The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol is Cc1cc(C2(c3ccc(OCC(C)O)c(C)c3)c3ccccc3Cc3ccccc32)ccc1OCC(C)O.Cc1cc(C2(c3ccc(OCCO)c(C)c3)c3ccccc3Cc3ccccc32)ccc1OCCO.
What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol?
The InChIKey is STFHJGZZOOOSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O4.C32H32O4/c1-22-17-28(13-15-32(22)37-20-24(3)35)34(29-14-16-33(23(2)18-29)38-21-25(4)36)30-11-7-5-9-26(30)19-27-10-6-8-12-31(27)34;1-22-19-26(11-13-30(22)35-17-15-33)32(27-12-14-31(23(2)20-27)36-18-16-34)28-9-5-3-7-24(28)21-25-8-4-6-10-29(25)32/h5-18,24-25,35-36H,19-21H2,1-4H3;3-14,19-20,33-34H,15-18,21H2,1-2H3.
What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol?
2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol has a molecular weight of 989.26 g/mol, XLogP of 11.44, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]ethanol;1-[4-[9-[4-(2-hydroxypropoxy)-3-methylphenyl]-10H-anthracen-9-yl]-2-methylphenoxy]propan-2-ol is sourced from PubChem (CID 160930639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).