1-bromo-2-[(2R)-nonan-2-yl]benzene

C15H23Br — CID 139715975

IUPAC1-bromo-2-[(2R)-nonan-2-yl]benzene
SMILESCCCCCCC[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H23Br/c1-3-4-5-6-7-10-13(2)14-11-8-9-12-15(14)16/h8-9,11-13H,3-7,10H2,1-2H3/t13-/m1/s1
InChIKeyUAJDNMJJTNIBRO-CYBMUJFWSA-N
MW283.25 g/mol
LogP5.91
Rot. Bonds7

About 1-bromo-2-[(2R)-nonan-2-yl]benzene

1-bromo-2-[(2R)-nonan-2-yl]benzene (PubChem CID 139715975) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-bromo-2-[(2R)-nonan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2R)-nonan-2-yl]benzene
PubChem CID139715975
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name1-bromo-2-[(2R)-nonan-2-yl]benzene
SMILESCCCCCCC[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H23Br/c1-3-4-5-6-7-10-13(2)14-11-8-9-12-15(14)16/h8-9,11-13H,3-7,10H2,1-2H3/t13-/m1/s1
InChIKeyUAJDNMJJTNIBRO-CYBMUJFWSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.25
LogP ≤ 55.91
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

1-bromo-2-heptan-2-ylbenzene
CID 59216916
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-bromo-2-(1-bromooctan-2-yl)benzene
CID 79454494
1-(2-bromophenyl)hexan-1-amine
CID 62604682
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
(2R)-2-(2-bromophenyl)decanenitrile
CID 125466877
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
3-undecan-2-ylbenzene-1,2-diol
CID 139758320

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2R)-nonan-2-yl]benzene?
The IUPAC name of 1-bromo-2-[(2R)-nonan-2-yl]benzene (CID 139715975) is 1-bromo-2-[(2R)-nonan-2-yl]benzene.
What is the SMILES notation for 1-bromo-2-[(2R)-nonan-2-yl]benzene?
The canonical SMILES for 1-bromo-2-[(2R)-nonan-2-yl]benzene is CCCCCCC[C@@H](C)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(2R)-nonan-2-yl]benzene?
The InChIKey is UAJDNMJJTNIBRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23Br/c1-3-4-5-6-7-10-13(2)14-11-8-9-12-15(14)16/h8-9,11-13H,3-7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-bromo-2-[(2R)-nonan-2-yl]benzene?
1-bromo-2-[(2R)-nonan-2-yl]benzene has a molecular weight of 283.25 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2R)-nonan-2-yl]benzene is sourced from PubChem (CID 139715975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).