(4-bromo-3,5-dimethylphenoxy)cycloheptane

C15H21BrO — CID 107723724

IUPAC(4-bromo-3,5-dimethylphenoxy)cycloheptane
SMILESCc1cc(OC2CCCCCC2)cc(C)c1Br
InChIInChI=1S/C15H21BrO/c1-11-9-14(10-12(2)15(11)16)17-13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyRTVDQZAEEPCXGM-UHFFFAOYSA-N
MW297.24 g/mol
LogP5.17
Rot. Bonds2

About (4-bromo-3,5-dimethylphenoxy)cycloheptane

(4-bromo-3,5-dimethylphenoxy)cycloheptane (PubChem CID 107723724) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenoxy)cycloheptane.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenoxy)cycloheptane
PubChem CID107723724
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name(4-bromo-3,5-dimethylphenoxy)cycloheptane
SMILESCc1cc(OC2CCCCCC2)cc(C)c1Br
InChIInChI=1S/C15H21BrO/c1-11-9-14(10-12(2)15(11)16)17-13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyRTVDQZAEEPCXGM-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.24
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromo-3,5-dimethylphenoxy)piperidine
CID 107724469
2-bromo-5-(3-chlorocyclobutyl)oxy-1,3-dimethylbenzene
CID 107727208
1-bromo-3-cyclopentyloxy-5-methylbenzene
CID 82184335
3-(4-bromo-3,5-dimethylphenoxy)-N-methylcyclobutan-1-amine
CID 107727245
3-(4-bromo-3,5-dimethylphenoxy)thiolane 1,1-dioxide
CID 107723638
magnesium;1-cyclohexyloxy-3,5-dimethylbenzene-4-ide;bromide
CID 91656214
3-(4-bromo-3,5-dimethylphenoxy)-1-methylcyclopentan-1-ol
CID 86697223
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955
4-(4-bromo-3,5-dimethylphenoxy)thiazinane 1,1-dioxide
CID 86697164
(4S)-4-(4-bromo-3,5-dimethylphenoxy)thiazinane 1,1-dioxide
CID 129388749
2-bromo-1,3-dimethyl-5-(3-methylsulfonylcyclobutyl)oxybenzene
CID 118086779
1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenoxy)cycloheptane?
The IUPAC name of (4-bromo-3,5-dimethylphenoxy)cycloheptane (CID 107723724) is (4-bromo-3,5-dimethylphenoxy)cycloheptane.
What is the SMILES notation for (4-bromo-3,5-dimethylphenoxy)cycloheptane?
The canonical SMILES for (4-bromo-3,5-dimethylphenoxy)cycloheptane is Cc1cc(OC2CCCCCC2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenoxy)cycloheptane?
The InChIKey is RTVDQZAEEPCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-11-9-14(10-12(2)15(11)16)17-13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenoxy)cycloheptane?
(4-bromo-3,5-dimethylphenoxy)cycloheptane has a molecular weight of 297.24 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenoxy)cycloheptane is sourced from PubChem (CID 107723724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).