[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol

C15H21BrO3 — CID 106825540

IUPAC[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
SMILESCOc1ccc(Br)c(COC2CCC(CO)CC2)c1
InChIInChI=1S/C15H21BrO3/c1-18-14-6-7-15(16)12(8-14)10-19-13-4-2-11(9-17)3-5-13/h6-8,11,13,17H,2-5,9-10H2,1H3
InChIKeyVWNCTCQVXPAPAZ-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.53
Rot. Bonds5

About [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol

[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol (PubChem CID 106825540) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
PubChem CID106825540
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
SMILESCOc1ccc(Br)c(COC2CCC(CO)CC2)c1
InChIInChI=1S/C15H21BrO3/c1-18-14-6-7-15(16)12(8-14)10-19-13-4-2-11(9-17)3-5-13/h6-8,11,13,17H,2-5,9-10H2,1H3
InChIKeyVWNCTCQVXPAPAZ-UHFFFAOYSA-N
XLogP3.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene
CID 169291898
4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane
CID 113369276
[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexyl]methanol
CID 106825399
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
4-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 102876123
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168715
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol?
The IUPAC name of [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol (CID 106825540) is [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol is COc1ccc(Br)c(COC2CCC(CO)CC2)c1.
What is the InChIKey of [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol?
The InChIKey is VWNCTCQVXPAPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-18-14-6-7-15(16)12(8-14)10-19-13-4-2-11(9-17)3-5-13/h6-8,11,13,17H,2-5,9-10H2,1H3.
What are the key properties of [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol?
[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol has a molecular weight of 329.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol is sourced from PubChem (CID 106825540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).