1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene

C14H18Br2O — CID 63468801

IUPAC1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene
SMILESBrCC(OC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H18Br2O/c15-10-14(11-5-4-6-12(16)9-11)17-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2
InChIKeyUHLGDMDOAVYZHP-UHFFFAOYSA-N
MW362.11 g/mol
LogP5.23
Rot. Bonds4

About 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene

1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene (PubChem CID 63468801) has the molecular formula C14H18Br2O and a molecular weight of 362.11 g/mol. Its IUPAC name is 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene
PubChem CID63468801
Molecular FormulaC14H18Br2O
Molecular Weight362.11 g/mol
Exact Mass359.97
IUPAC Name1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene
SMILESBrCC(OC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H18Br2O/c15-10-14(11-5-4-6-12(16)9-11)17-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2
InChIKeyUHLGDMDOAVYZHP-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.11
LogP ≤ 55.23
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

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CID 165495012
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1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene
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N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
CID 62382196
1-bromo-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
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[(1R)-2-bromo-1-(3-bromophenyl)ethoxy]-trimethylsilane
CID 129406642
1-(2-bromo-1-cyclohexyloxyethyl)-2-chlorobenzene
CID 63468804
2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
CID 55018005
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
1-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]-3-fluorobenzene
CID 63468080

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene?
The IUPAC name of 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene (CID 63468801) is 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene.
What is the SMILES notation for 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene?
The canonical SMILES for 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene is BrCC(OC1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene?
The InChIKey is UHLGDMDOAVYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2O/c15-10-14(11-5-4-6-12(16)9-11)17-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2.
What are the key properties of 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene?
1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene has a molecular weight of 362.11 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene is sourced from PubChem (CID 63468801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).