1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene

C104H154Br2O7 — CID 158117193

IUPAC1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene
SMILESCC(C)(C)Oc1c(Br)cccc1C(C)(O)C1CC1.CC(C)c1cccc(C(C)C2CC2)c1OC(C)(C)C.CC(c1cccc(Br)c1OC(C)(C)C)C1CC1.CC(c1cccc(C2CC2)c1OC(C)(C)C)C1CC1.CC1CC1c1cccc(C(C)C2CC2)c1OC(C)(C)C.CCC(C)c1cccc(C(C)C2CC2)c1OC(C)(C)C
InChIInChI=1S/C19H28O.C19H30O.C18H26O.C18H28O.C15H21BrO2.C15H21BrO/c1-12-11-17(12)16-8-6-7-15(13(2)14-9-10-14)18(16)20-19(3,4)5;1-7-13(2)16-9-8-10-17(14(3)15-11-12-15)18(16)20-19(4,5)6;1-12(13-8-9-13)15-6-5-7-16(14-10-11-14)17(15)19-18(2,3)4;1-12(2)15-8-7-9-16(13(3)14-10-11-14)17(15)19-18(4,5)6;1-14(2,3)18-13-11(6-5-7-12(13)16)15(4,17)10-8-9-10;1-10(11-8-9-11)12-6-5-7-13(16)14(12)17-15(2,3)4/h6-8,12-14,17H,9-11H2,1-5H3;8-10,13-15H,7,11-12H2,1-6H3;5-7,12-14H,8-11H2,1-4H3;7-9,12-14H,10-11H2,1-6H3;5-7,10,17H,8-9H2,1-4H3;5-7,10-11H,8-9H2,1-4H3
InChIKeyFRDSJGUUGBZSIX-UHFFFAOYSA-N
MW1676.18 g/mol
LogP31.53
Rot. Bonds23

About 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene

1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene (PubChem CID 158117193) has the molecular formula C104H154Br2O7 and a molecular weight of 1676.18 g/mol. Its IUPAC name is 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene
PubChem CID158117193
Molecular FormulaC104H154Br2O7
Molecular Weight1676.18 g/mol
Exact Mass1673.01
IUPAC Name1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene
SMILESCC(C)(C)Oc1c(Br)cccc1C(C)(O)C1CC1.CC(C)c1cccc(C(C)C2CC2)c1OC(C)(C)C.CC(c1cccc(Br)c1OC(C)(C)C)C1CC1.CC(c1cccc(C2CC2)c1OC(C)(C)C)C1CC1.CC1CC1c1cccc(C(C)C2CC2)c1OC(C)(C)C.CCC(C)c1cccc(C(C)C2CC2)c1OC(C)(C)C
InChIInChI=1S/C19H28O.C19H30O.C18H26O.C18H28O.C15H21BrO2.C15H21BrO/c1-12-11-17(12)16-8-6-7-15(13(2)14-9-10-14)18(16)20-19(3,4)5;1-7-13(2)16-9-8-10-17(14(3)15-11-12-15)18(16)20-19(4,5)6;1-12(13-8-9-13)15-6-5-7-16(14-10-11-14)17(15)19-18(2,3)4;1-12(2)15-8-7-9-16(13(3)14-10-11-14)17(15)19-18(4,5)6;1-14(2,3)18-13-11(6-5-7-12(13)16)15(4,17)10-8-9-10;1-10(11-8-9-11)12-6-5-7-13(16)14(12)17-15(2,3)4/h6-8,12-14,17H,9-11H2,1-5H3;8-10,13-15H,7,11-12H2,1-6H3;5-7,12-14H,8-11H2,1-4H3;7-9,12-14H,10-11H2,1-6H3;5-7,10,17H,8-9H2,1-4H3;5-7,10-11H,8-9H2,1-4H3
InChIKeyFRDSJGUUGBZSIX-UHFFFAOYSA-N
XLogP31.53
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001676.18
LogP ≤ 531.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene?
The IUPAC name of 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene (CID 158117193) is 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene.
What is the SMILES notation for 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene?
The canonical SMILES for 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene is CC(C)(C)Oc1c(Br)cccc1C(C)(O)C1CC1.CC(C)c1cccc(C(C)C2CC2)c1OC(C)(C)C.CC(c1cccc(Br)c1OC(C)(C)C)C1CC1.CC(c1cccc(C2CC2)c1OC(C)(C)C)C1CC1.CC1CC1c1cccc(C(C)C2CC2)c1OC(C)(C)C.CCC(C)c1cccc(C(C)C2CC2)c1OC(C)(C)C.
What is the InChIKey of 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene?
The InChIKey is FRDSJGUUGBZSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O.C19H30O.C18H26O.C18H28O.C15H21BrO2.C15H21BrO/c1-12-11-17(12)16-8-6-7-15(13(2)14-9-10-14)18(16)20-19(3,4)5;1-7-13(2)16-9-8-10-17(14(3)15-11-12-15)18(16)20-19(4,5)6;1-12(13-8-9-13)15-6-5-7-16(14-10-11-14)17(15)19-18(2,3)4;1-12(2)15-8-7-9-16(13(3)14-10-11-14)17(15)19-18(4,5)6;1-14(2,3)18-13-11(6-5-7-12(13)16)15(4,17)10-8-9-10;1-10(11-8-9-11)12-6-5-7-13(16)14(12)17-15(2,3)4/h6-8,12-14,17H,9-11H2,1-5H3;8-10,13-15H,7,11-12H2,1-6H3;5-7,12-14H,8-11H2,1-4H3;7-9,12-14H,10-11H2,1-6H3;5-7,10,17H,8-9H2,1-4H3;5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene?
1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene has a molecular weight of 1676.18 g/mol, XLogP of 31.53, 23 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-[3-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]-1-cyclopropylethanol;1-butan-2-yl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-cyclopropyl-3-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-3-(2-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxy]benzene;1-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylbenzene is sourced from PubChem (CID 158117193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).