lithium;1-bromo-4-methoxybenzene;butane

C11H16BrLiO — CID 174553032

IUPAClithium;1-bromo-4-methoxybenzene;butane
SMILESCOc1ccc(Br)cc1.[CH2-]CCC.[Li+]
InChIInChI=1S/C7H7BrO.C4H9.Li/c1-9-7-4-2-6(8)3-5-7;1-3-4-2;/h2-5H,1H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyPVPDZZXECBFCMQ-UHFFFAOYSA-N
MW251.09 g/mol
LogP1.08
Rot. Bonds2

About lithium;1-bromo-4-methoxybenzene;butane

lithium;1-bromo-4-methoxybenzene;butane (PubChem CID 174553032) has the molecular formula C11H16BrLiO and a molecular weight of 251.09 g/mol. Its IUPAC name is lithium;1-bromo-4-methoxybenzene;butane.

Molecular Properties

Compound Namelithium;1-bromo-4-methoxybenzene;butane
PubChem CID174553032
Molecular FormulaC11H16BrLiO
Molecular Weight251.09 g/mol
Exact Mass250.05
IUPAC Namelithium;1-bromo-4-methoxybenzene;butane
SMILESCOc1ccc(Br)cc1.[CH2-]CCC.[Li+]
InChIInChI=1S/C7H7BrO.C4H9.Li/c1-9-7-4-2-6(8)3-5-7;1-3-4-2;/h2-5H,1H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyPVPDZZXECBFCMQ-UHFFFAOYSA-N
XLogP1.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
CID 125465303
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
4-(4-bromophenyl)-2-ethyl-5-(4-methoxyphenyl)triazole
CID 71126308
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
bromozinc(1+);1-ethyl-4-methoxybenzene
CID 24722652
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
1-(4-bromophenyl)-2-(4-methoxyphenyl)-5-propylpyrrole
CID 22387550
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
(4-bromophenyl) ethanesulfonate
CID 130733749

Frequently Asked Questions

What is the IUPAC name of lithium;1-bromo-4-methoxybenzene;butane?
The IUPAC name of lithium;1-bromo-4-methoxybenzene;butane (CID 174553032) is lithium;1-bromo-4-methoxybenzene;butane.
What is the SMILES notation for lithium;1-bromo-4-methoxybenzene;butane?
The canonical SMILES for lithium;1-bromo-4-methoxybenzene;butane is COc1ccc(Br)cc1.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;1-bromo-4-methoxybenzene;butane?
The InChIKey is PVPDZZXECBFCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO.C4H9.Li/c1-9-7-4-2-6(8)3-5-7;1-3-4-2;/h2-5H,1H3;1,3-4H2,2H3;/q;-1;+1.
What are the key properties of lithium;1-bromo-4-methoxybenzene;butane?
lithium;1-bromo-4-methoxybenzene;butane has a molecular weight of 251.09 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-bromo-4-methoxybenzene;butane is sourced from PubChem (CID 174553032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).