3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol

C14H18Br2O — CID 141143598

IUPAC3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol
SMILESCc1c(O)c(C)c(Br)c(C2CCCCC2)c1Br
InChIInChI=1S/C14H18Br2O/c1-8-12(15)11(10-6-4-3-5-7-10)13(16)9(2)14(8)17/h10,17H,3-7H2,1-2H3
InChIKeyCQQUOEKOWZWQHF-UHFFFAOYSA-N
MW362.11 g/mol
LogP5.58
Rot. Bonds1

About 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol

3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol (PubChem CID 141143598) has the molecular formula C14H18Br2O and a molecular weight of 362.11 g/mol. Its IUPAC name is 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol.

Molecular Properties

Compound Name3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol
PubChem CID141143598
Molecular FormulaC14H18Br2O
Molecular Weight362.11 g/mol
Exact Mass359.97
IUPAC Name3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol
SMILESCc1c(O)c(C)c(Br)c(C2CCCCC2)c1Br
InChIInChI=1S/C14H18Br2O/c1-8-12(15)11(10-6-4-3-5-7-10)13(16)9(2)14(8)17/h10,17H,3-7H2,1-2H3
InChIKeyCQQUOEKOWZWQHF-UHFFFAOYSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.11
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tricyclopentyl-3-methylphenol
CID 3017206
2,6-dicyclohexyl-3-methylphenol
CID 3022567
2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid
CID 88669174
2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol
CID 3022568
2-cyclohexyl-4-[2-(4-hydroxyphenyl)propan-2-yl]-3,5,6-trimethylphenol
CID 154436183
1,2,3-tricyclohexyl-4-methylbenzene
CID 173149758
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
2-cyclohexyl-5,6-dihydroxy-3-methylbenzoic acid
CID 87860561
3-cyclohexyl-4,5-dimethylthiophen-2-amine
CID 82366166
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
1-(bromomethyl)-5-cyclohexyl-2,3,4-trifluoro-6-methylbenzene
CID 174885593
3-cyclohexyl-4-ethylbenzene-1,2-diol
CID 154435911

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol?
The IUPAC name of 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol (CID 141143598) is 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol.
What is the SMILES notation for 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol?
The canonical SMILES for 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol is Cc1c(O)c(C)c(Br)c(C2CCCCC2)c1Br.
What is the InChIKey of 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol?
The InChIKey is CQQUOEKOWZWQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2O/c1-8-12(15)11(10-6-4-3-5-7-10)13(16)9(2)14(8)17/h10,17H,3-7H2,1-2H3.
What are the key properties of 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol?
3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol has a molecular weight of 362.11 g/mol, XLogP of 5.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol is sourced from PubChem (CID 141143598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).