1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol

C13H16Br2O2 — CID 65213548

IUPAC1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol
SMILESOC1(COc2ccc(Br)cc2Br)CCCCC1
InChIInChI=1S/C13H16Br2O2/c14-10-4-5-12(11(15)8-10)17-9-13(16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2
InChIKeyQOPMRAKITLVWDD-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.29
Rot. Bonds3

About 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol

1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol (PubChem CID 65213548) has the molecular formula C13H16Br2O2 and a molecular weight of 364.08 g/mol. Its IUPAC name is 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol
PubChem CID65213548
Molecular FormulaC13H16Br2O2
Molecular Weight364.08 g/mol
Exact Mass361.95
IUPAC Name1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol
SMILESOC1(COc2ccc(Br)cc2Br)CCCCC1
InChIInChI=1S/C13H16Br2O2/c14-10-4-5-12(11(15)8-10)17-9-13(16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2
InChIKeyQOPMRAKITLVWDD-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004930
2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65013825
1-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 102949274
1-[(4-bromo-2,5-dichlorophenoxy)methyl]cyclohexan-1-ol
CID 107659884
4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid
CID 65213790
1-[[4-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211126
1-[(2-bromo-5-nitrophenoxy)methyl]cyclohexan-1-ol
CID 102977776
1-[(5-bromo-2-chlorophenoxy)methyl]-1-(bromomethyl)cycloheptane
CID 65010650
2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475
[4-[(2,4-dibromophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006201
1-[[2-(2,4-dibromophenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158229
4-[(2-bromo-4-methoxyphenoxy)methyl]piperidin-4-ol
CID 104707744

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol (CID 65213548) is 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol is OC1(COc2ccc(Br)cc2Br)CCCCC1.
What is the InChIKey of 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol?
The InChIKey is QOPMRAKITLVWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O2/c14-10-4-5-12(11(15)8-10)17-9-13(16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2.
What are the key properties of 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol?
1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol has a molecular weight of 364.08 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65213548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).