1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene

C17H19BrO — CID 63440600

IUPAC1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(Br)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19BrO/c1-3-4-13-5-7-14(8-6-13)17(18)15-9-11-16(19-2)12-10-15/h5-12,17H,3-4H2,1-2H3
InChIKeyMZZPKRHOEMJXDU-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.13
Rot. Bonds5

About 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene

1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene (PubChem CID 63440600) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene
PubChem CID63440600
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(Br)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19BrO/c1-3-4-13-5-7-14(8-6-13)17(18)15-9-11-16(19-2)12-10-15/h5-12,17H,3-4H2,1-2H3
InChIKeyMZZPKRHOEMJXDU-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.13
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

ethane;1-methoxy-4-propylbenzene
CID 142085762
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
2-[bromo-(4-propylphenyl)methyl]-1,3-dimethoxybenzene
CID 63440811
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene
CID 177453758
potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene
CID 172578075
1-[bromo-(4-butylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 102884536
4-[bromo-(4-methoxyphenyl)methyl]-1,2-diethylbenzene
CID 115483026

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene?
The IUPAC name of 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene (CID 63440600) is 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene.
What is the SMILES notation for 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene?
The canonical SMILES for 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene is CCCc1ccc(C(Br)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene?
The InChIKey is MZZPKRHOEMJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-3-4-13-5-7-14(8-6-13)17(18)15-9-11-16(19-2)12-10-15/h5-12,17H,3-4H2,1-2H3.
What are the key properties of 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene?
1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene has a molecular weight of 319.24 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene is sourced from PubChem (CID 63440600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).