1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride

C19H24BrCl — CID 160507683

IUPAC1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
SMILESC[C@H](CCCCc1ccccc1)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C19H23Br.ClH/c1-16(15-18-11-13-19(20)14-12-18)7-5-6-10-17-8-3-2-4-9-17;/h2-4,8-9,11-14,16H,5-7,10,15H2,1H3;1H/t16-;/m1./s1
InChIKeyUISLOFIQDVFZHY-PKLMIRHRSA-N
MW367.76 g/mol
LogP6.46
Rot. Bonds7

About 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride

1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride (PubChem CID 160507683) has the molecular formula C19H24BrCl and a molecular weight of 367.76 g/mol. Its IUPAC name is 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride.

Molecular Properties

Compound Name1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
PubChem CID160507683
Molecular FormulaC19H24BrCl
Molecular Weight367.76 g/mol
Exact Mass366.07
IUPAC Name1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride
SMILESC[C@H](CCCCc1ccccc1)Cc1ccc(Br)cc1.Cl
InChIInChI=1S/C19H23Br.ClH/c1-16(15-18-11-13-19(20)14-12-18)7-5-6-10-17-8-3-2-4-9-17;/h2-4,8-9,11-14,16H,5-7,10,15H2,1H3;1H/t16-;/m1./s1
InChIKeyUISLOFIQDVFZHY-PKLMIRHRSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.76
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
5-methylheptylbenzene
CID 564254
ethane;2-methylheptylbenzene
CID 142204161
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
N-(4-bromophenyl)-4-(2-methylheptyl)-N-[4-(2-methylheptyl)phenyl]aniline
CID 141463679
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
6-phenylhexan-2-ylbenzene
CID 19704587
N-(4-bromophenyl)-4-(6-methylheptyl)-N-[4-(6-methylheptyl)phenyl]aniline
CID 141463678

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride?
The IUPAC name of 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride (CID 160507683) is 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride.
What is the SMILES notation for 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride?
The canonical SMILES for 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride is C[C@H](CCCCc1ccccc1)Cc1ccc(Br)cc1.Cl.
What is the InChIKey of 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride?
The InChIKey is UISLOFIQDVFZHY-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H23Br.ClH/c1-16(15-18-11-13-19(20)14-12-18)7-5-6-10-17-8-3-2-4-9-17;/h2-4,8-9,11-14,16H,5-7,10,15H2,1H3;1H/t16-;/m1./s1.
What are the key properties of 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride?
1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride has a molecular weight of 367.76 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2R)-2-methyl-6-phenylhexyl]benzene;hydrochloride is sourced from PubChem (CID 160507683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).