1-(1-bromodecyl)-4-(2-methoxyethyl)benzene

C19H31BrO — CID 65428907

IUPAC1-(1-bromodecyl)-4-(2-methoxyethyl)benzene
SMILESCCCCCCCCCC(Br)c1ccc(CCOC)cc1
InChIInChI=1S/C19H31BrO/c1-3-4-5-6-7-8-9-10-19(20)18-13-11-17(12-14-18)15-16-21-2/h11-14,19H,3-10,15-16H2,1-2H3
InChIKeyZDBNFOUFQNSSIH-UHFFFAOYSA-N
MW355.36 g/mol
LogP6.45
Rot. Bonds12

About 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene

1-(1-bromodecyl)-4-(2-methoxyethyl)benzene (PubChem CID 65428907) has the molecular formula C19H31BrO and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-(1-bromodecyl)-4-(2-methoxyethyl)benzene
PubChem CID65428907
Molecular FormulaC19H31BrO
Molecular Weight355.36 g/mol
Exact Mass354.16
IUPAC Name1-(1-bromodecyl)-4-(2-methoxyethyl)benzene
SMILESCCCCCCCCCC(Br)c1ccc(CCOC)cc1
InChIInChI=1S/C19H31BrO/c1-3-4-5-6-7-8-9-10-19(20)18-13-11-17(12-14-18)15-16-21-2/h11-14,19H,3-10,15-16H2,1-2H3
InChIKeyZDBNFOUFQNSSIH-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromoheptyl)-4-propylbenzene
CID 114753586
1-(1-bromoheptyl)-4-butylbenzene
CID 114753581
1-[4-(2-methoxyethyl)phenyl]decan-1-amine
CID 65449887
1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine
CID 65450078
1-(1-bromobutyl)-4-hexylbenzene
CID 139813954
1-(1-bromohexyl)-4-ethylbenzene
CID 63440069
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216
1-(1-bromo-2-propylpentyl)-4-(2-methoxyethyl)benzene
CID 82988111
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(1-bromododecyl)-4-fluorobenzene
CID 65427740
1-(1-bromononyl)-4-butan-2-ylbenzene
CID 65426772

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene (CID 65428907) is 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene is CCCCCCCCCC(Br)c1ccc(CCOC)cc1.
What is the InChIKey of 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene?
The InChIKey is ZDBNFOUFQNSSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31BrO/c1-3-4-5-6-7-8-9-10-19(20)18-13-11-17(12-14-18)15-16-21-2/h11-14,19H,3-10,15-16H2,1-2H3.
What are the key properties of 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene?
1-(1-bromodecyl)-4-(2-methoxyethyl)benzene has a molecular weight of 355.36 g/mol, XLogP of 6.45, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromodecyl)-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 65428907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).