2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene

C53H66O2 — CID 167608354

IUPAC2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)C.CC(C)c1ccc(Cc2ccccc2C(C)C)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)cc2)cc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24.C18H22O.C12H10O.C4H10/c1-14(2)17-11-9-16(10-12-17)13-18-7-5-6-8-19(18)15(3)4;1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3/h5-12,14-15H,13H2,1-4H3;5-14H,1-4H3;1-10H;4H,1-3H3
InChIKeyKRQFKRPOYLPTRB-UHFFFAOYSA-N
MW735.11 g/mol
LogP16.39
Rot. Bonds10

About 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene

2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene (PubChem CID 167608354) has the molecular formula C53H66O2 and a molecular weight of 735.11 g/mol. Its IUPAC name is 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene.

Molecular Properties

Compound Name2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene
PubChem CID167608354
Molecular FormulaC53H66O2
Molecular Weight735.11 g/mol
Exact Mass734.51
IUPAC Name2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)C.CC(C)c1ccc(Cc2ccccc2C(C)C)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)cc2)cc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24.C18H22O.C12H10O.C4H10/c1-14(2)17-11-9-16(10-12-17)13-18-7-5-6-8-19(18)15(3)4;1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3/h5-12,14-15H,13H2,1-4H3;5-14H,1-4H3;1-10H;4H,1-3H3
InChIKeyKRQFKRPOYLPTRB-UHFFFAOYSA-N
XLogP16.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.11
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene with MolForge

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Related Compounds

1-benzyl-2-propan-2-ylbenzene
CID 13215617
phenyl 2-[4-(4-propan-2-ylphenoxy)phenyl]acetate
CID 158472100
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
4-methyl-2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 141236987
1-(4-phenoxyphenyl)-2,4-di(propan-2-yl)benzene
CID 173271154
1-(methoxymethoxy)-2-[(4-phenoxyphenyl)methyl]benzene
CID 141142570
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene
CID 174428153
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene?
The IUPAC name of 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene (CID 167608354) is 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene.
What is the SMILES notation for 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene?
The canonical SMILES for 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene is CC(C)C.CC(C)c1ccc(Cc2ccccc2C(C)C)cc1.CC(C)c1ccc(Oc2ccc(C(C)C)cc2)cc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene?
The InChIKey is KRQFKRPOYLPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C18H22O.C12H10O.C4H10/c1-14(2)17-11-9-16(10-12-17)13-18-7-5-6-8-19(18)15(3)4;1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4(2)3/h5-12,14-15H,13H2,1-4H3;5-14H,1-4H3;1-10H;4H,1-3H3.
What are the key properties of 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene?
2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene has a molecular weight of 735.11 g/mol, XLogP of 16.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;phenoxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene;1-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]benzene is sourced from PubChem (CID 167608354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).