[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol

C14H19BrO2 — CID 64747530

IUPAC[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
SMILESCC1CCC(Oc2ccc(CO)cc2Br)CC1
InChIInChI=1S/C14H19BrO2/c1-10-2-5-12(6-3-10)17-14-7-4-11(9-16)8-13(14)15/h4,7-8,10,12,16H,2-3,5-6,9H2,1H3
InChIKeyNDWFYCJJTMCWBM-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.90
Rot. Bonds3

About [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol

[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol (PubChem CID 64747530) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
PubChem CID64747530
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
SMILESCC1CCC(Oc2ccc(CO)cc2Br)CC1
InChIInChI=1S/C14H19BrO2/c1-10-2-5-12(6-3-10)17-14-7-4-11(9-16)8-13(14)15/h4,7-8,10,12,16H,2-3,5-6,9H2,1H3
InChIKeyNDWFYCJJTMCWBM-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
[5-(4-methylcyclohexyl)oxynaphthalen-2-yl]methanol
CID 90037244
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
[3-bromo-4-(oxan-3-yloxy)phenyl]methanol
CID 107135061
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63532113
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64737947
N-[[3-bromo-4-(4-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64750225
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]propan-1-amine
CID 63045521

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol?
The IUPAC name of [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol (CID 64747530) is [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol.
What is the SMILES notation for [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol?
The canonical SMILES for [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol is CC1CCC(Oc2ccc(CO)cc2Br)CC1.
What is the InChIKey of [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol?
The InChIKey is NDWFYCJJTMCWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-10-2-5-12(6-3-10)17-14-7-4-11(9-16)8-13(14)15/h4,7-8,10,12,16H,2-3,5-6,9H2,1H3.
What are the key properties of [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol?
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol has a molecular weight of 299.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol is sourced from PubChem (CID 64747530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).