1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene

C92H99BrO3 — CID 158478227

IUPAC1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc2c1oc1ccccc12.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1
InChIInChI=1S/C16H16O.C15H14O.C15H16O.C15H16.C13H14.C9H11Br.C9H12/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9/h3-12H,1-2H3;3-10H,1-2H3;3-12H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;3-7H,1-2H3;3-8H,1-2H3
InChIKeyHHEWNJABFHNKAF-UHFFFAOYSA-N
MW1332.70 g/mol
LogP28.18
Rot. Bonds12

About 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene

1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene (PubChem CID 158478227) has the molecular formula C92H99BrO3 and a molecular weight of 1332.70 g/mol. Its IUPAC name is 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene
PubChem CID158478227
Molecular FormulaC92H99BrO3
Molecular Weight1332.70 g/mol
Exact Mass1330.68
IUPAC Name1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc2c1oc1ccccc12.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1
InChIInChI=1S/C16H16O.C15H14O.C15H16O.C15H16.C13H14.C9H11Br.C9H12/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9/h3-12H,1-2H3;3-10H,1-2H3;3-12H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;3-7H,1-2H3;3-8H,1-2H3
InChIKeyHHEWNJABFHNKAF-UHFFFAOYSA-N
XLogP28.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001332.70
LogP ≤ 528.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene with MolForge

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Related Compounds

(4-bromophenyl)-(3-dibenzofuran-4-ylphenyl)methanone
CID 66669293
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
4-[4-(1-naphthalen-1-ylpropyl)phenyl]dibenzofuran
CID 121440850
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
2-naphthalen-1-yl-8-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;4-naphthalen-1-yl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;2-phenyl-8-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;3-phenyl-7-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran
CID 159241387
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
CID 28880618
1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran
CID 135295808
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene?
The IUPAC name of 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene (CID 158478227) is 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene.
What is the SMILES notation for 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene?
The canonical SMILES for 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene is CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc2c1oc1ccccc12.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.
What is the InChIKey of 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene?
The InChIKey is HHEWNJABFHNKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C15H14O.C15H16O.C15H16.C13H14.C9H11Br.C9H12/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9/h3-12H,1-2H3;3-10H,1-2H3;3-12H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;3-7H,1-2H3;3-8H,1-2H3.
What are the key properties of 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene?
1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene has a molecular weight of 1332.70 g/mol, XLogP of 28.18, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-propan-2-ylbenzene;cumene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;phenyl-(4-propan-2-ylphenyl)methanone;4-propan-2-yldibenzofuran;1-propan-2-ylnaphthalene is sourced from PubChem (CID 158478227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).