1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)

C79H118O7 — CID 159519915

IUPAC1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)
SMILESCC.CC.CC.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CO)cc1.CCC.CCC.CCc1ccc(CC)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C15H16O2.3C10H14O.C10H14.2C6H6O.2C3H8.3C2H6/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;3*1-8(2)10-5-3-9(7-11)4-6-10;1-3-9-5-7-10(4-2)8-6-9;2*7-6-4-2-1-3-5-6;2*1-3-2;3*1-2/h3-10,16-17H,1-2H3;3*3-6,8,11H,7H2,1-2H3;5-8H,3-4H2,1-2H3;2*1-5,7H;2*3H2,1-2H3;3*1-2H3
InChIKeyMBRFOCUWVQLOAQ-UHFFFAOYSA-N
MW1179.81 g/mol
LogP21.84
Rot. Bonds10

About 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)

1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol) (PubChem CID 159519915) has the molecular formula C79H118O7 and a molecular weight of 1179.81 g/mol. Its IUPAC name is 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol).

Molecular Properties

Compound Name1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)
PubChem CID159519915
Molecular FormulaC79H118O7
Molecular Weight1179.81 g/mol
Exact Mass1178.89
IUPAC Name1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)
SMILESCC.CC.CC.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CO)cc1.CCC.CCC.CCc1ccc(CC)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C15H16O2.3C10H14O.C10H14.2C6H6O.2C3H8.3C2H6/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;3*1-8(2)10-5-3-9(7-11)4-6-10;1-3-9-5-7-10(4-2)8-6-9;2*7-6-4-2-1-3-5-6;2*1-3-2;3*1-2/h3-10,16-17H,1-2H3;3*3-6,8,11H,7H2,1-2H3;5-8H,3-4H2,1-2H3;2*1-5,7H;2*3H2,1-2H3;3*1-2H3
InChIKeyMBRFOCUWVQLOAQ-UHFFFAOYSA-N
XLogP21.84
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.81
LogP ≤ 521.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
CID 160505976
ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol
CID 144897116
cumene;1,4-diethylbenzene;1-ethyl-4-(4-ethylphenyl)benzene;methane;phenol
CID 159077925
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
4-(hydroxymethyl)phenol;phenol
CID 141229785
ethane;phenol;2-phenylpropan-2-ol;4-(2-phenylpropan-2-yl)phenol
CID 158640691
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
1,4-diethylbenzene;ethane;1-ethyl-4-(4-ethylphenyl)benzene;tris(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);methane;tris(2-methylphenol);2-methylpropane;naphthalene;phenol;propane;tricyclo[5.2.1.02,6]decane
CID 160566205
bis(tert-butylbenzene);cumene;phenol
CID 161465137
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)?
The IUPAC name of 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol) (CID 159519915) is 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol).
What is the SMILES notation for 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)?
The canonical SMILES for 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol) is CC.CC.CC.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(CO)cc1.CCC.CCC.CCc1ccc(CC)cc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)?
The InChIKey is MBRFOCUWVQLOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.3C10H14O.C10H14.2C6H6O.2C3H8.3C2H6/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;3*1-8(2)10-5-3-9(7-11)4-6-10;1-3-9-5-7-10(4-2)8-6-9;2*7-6-4-2-1-3-5-6;2*1-3-2;3*1-2/h3-10,16-17H,1-2H3;3*3-6,8,11H,7H2,1-2H3;5-8H,3-4H2,1-2H3;2*1-5,7H;2*3H2,1-2H3;3*1-2H3.
What are the key properties of 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol)?
1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol) has a molecular weight of 1179.81 g/mol, XLogP of 21.84, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene;ethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol;propane;tris((4-propan-2-ylphenyl)methanol) is sourced from PubChem (CID 159519915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).