3-cyclopentyloxy-2-fluoro-4-methoxyphenol

C12H15FO3 — CID 125116751

IUPAC3-cyclopentyloxy-2-fluoro-4-methoxyphenol
SMILESCOc1ccc(O)c(F)c1OC1CCCC1
InChIInChI=1S/C12H15FO3/c1-15-10-7-6-9(14)11(13)12(10)16-8-4-2-3-5-8/h6-8,14H,2-5H2,1H3
InChIKeyYQCCGJOZKIQMPS-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.86
Rot. Bonds3

About 3-cyclopentyloxy-2-fluoro-4-methoxyphenol

3-cyclopentyloxy-2-fluoro-4-methoxyphenol (PubChem CID 125116751) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-cyclopentyloxy-2-fluoro-4-methoxyphenol.

Molecular Properties

Compound Name3-cyclopentyloxy-2-fluoro-4-methoxyphenol
PubChem CID125116751
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name3-cyclopentyloxy-2-fluoro-4-methoxyphenol
SMILESCOc1ccc(O)c(F)c1OC1CCCC1
InChIInChI=1S/C12H15FO3/c1-15-10-7-6-9(14)11(13)12(10)16-8-4-2-3-5-8/h6-8,14H,2-5H2,1H3
InChIKeyYQCCGJOZKIQMPS-UHFFFAOYSA-N
XLogP2.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyloxy-3-methoxybenzene-1,2-diol
CID 142657072
2-cyclopentyloxy-3,4-dimethoxybenzonitrile
CID 18470646
2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 117460411
methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
CID 66781747
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117481112
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-2-fluoro-4-methoxyphenol?
The IUPAC name of 3-cyclopentyloxy-2-fluoro-4-methoxyphenol (CID 125116751) is 3-cyclopentyloxy-2-fluoro-4-methoxyphenol.
What is the SMILES notation for 3-cyclopentyloxy-2-fluoro-4-methoxyphenol?
The canonical SMILES for 3-cyclopentyloxy-2-fluoro-4-methoxyphenol is COc1ccc(O)c(F)c1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-2-fluoro-4-methoxyphenol?
The InChIKey is YQCCGJOZKIQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-15-10-7-6-9(14)11(13)12(10)16-8-4-2-3-5-8/h6-8,14H,2-5H2,1H3.
What are the key properties of 3-cyclopentyloxy-2-fluoro-4-methoxyphenol?
3-cyclopentyloxy-2-fluoro-4-methoxyphenol has a molecular weight of 226.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-2-fluoro-4-methoxyphenol is sourced from PubChem (CID 125116751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).