1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene

C19H23BrO — CID 63441254

IUPAC1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
SMILESCC(C)Oc1ccc(C(Br)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23BrO/c1-13(2)15-5-7-16(8-6-15)19(20)17-9-11-18(12-10-17)21-14(3)4/h5-14,19H,1-4H3
InChIKeyMZYMKYKHDINLAJ-UHFFFAOYSA-N
MW347.30 g/mol
LogP6.08
Rot. Bonds5

About 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene

1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene (PubChem CID 63441254) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
PubChem CID63441254
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
SMILESCC(C)Oc1ccc(C(Br)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23BrO/c1-13(2)15-5-7-16(8-6-15)19(20)17-9-11-18(12-10-17)21-14(3)4/h5-14,19H,1-4H3
InChIKeyMZYMKYKHDINLAJ-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
4-[bromo-(4-propan-2-yloxyphenyl)methyl]-1,2-difluorobenzene
CID 63441119
1-[bromo-(3-methylphenyl)methyl]-4-propan-2-yloxybenzene
CID 63441349
4-[bromo-(4-propan-2-yloxyphenyl)methyl]-1-fluoro-2-methylbenzene
CID 63441611
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
1-bromo-4-[bromo-(4-propan-2-yloxyphenyl)methyl]-2-fluorobenzene
CID 63441116
2-[bromo-(4-propan-2-yloxyphenyl)methyl]-1,3-difluorobenzene
CID 63441575
3-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-methylthiophene
CID 79807826
1-[bromo-(4-chlorophenyl)methyl]-3-propan-2-yloxybenzene
CID 63436948
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene (CID 63441254) is 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene is CC(C)Oc1ccc(C(Br)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene?
The InChIKey is MZYMKYKHDINLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-13(2)15-5-7-16(8-6-15)19(20)17-9-11-18(12-10-17)21-14(3)4/h5-14,19H,1-4H3.
What are the key properties of 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene?
1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene has a molecular weight of 347.30 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 63441254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).