1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene

C15H21BrO — CID 126754344

IUPAC1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene
SMILESCc1c(Br)cccc1OC(C)C1CCCCC1
InChIInChI=1S/C15H21BrO/c1-11-14(16)9-6-10-15(11)17-12(2)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8H2,1-2H3
InChIKeyYWGFELVHIXDBBQ-UHFFFAOYSA-N
MW297.24 g/mol
LogP5.11
Rot. Bonds3

About 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene

1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene (PubChem CID 126754344) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene
PubChem CID126754344
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene
SMILESCc1c(Br)cccc1OC(C)C1CCCCC1
InChIInChI=1S/C15H21BrO/c1-11-14(16)9-6-10-15(11)17-12(2)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8H2,1-2H3
InChIKeyYWGFELVHIXDBBQ-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.24
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(1-cyclohexylethoxy)benzene
CID 126754548
[(1S)-1-(3-bromophenoxy)ethyl]cycloheptane
CID 126753998
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
1-bromo-4-(1-cyclohexylethoxy)benzene
CID 68813253
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine
CID 68596370
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789811
(3-bromo-2-methylphenoxy)-trimethylsilane
CID 167729403
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene?
The IUPAC name of 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene (CID 126754344) is 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene.
What is the SMILES notation for 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene?
The canonical SMILES for 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene is Cc1c(Br)cccc1OC(C)C1CCCCC1.
What is the InChIKey of 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene?
The InChIKey is YWGFELVHIXDBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-11-14(16)9-6-10-15(11)17-12(2)13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8H2,1-2H3.
What are the key properties of 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene?
1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene has a molecular weight of 297.24 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-cyclohexylethoxy)-2-methylbenzene is sourced from PubChem (CID 126754344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).