2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene

C14H19FO2 — CID 167222022

IUPAC2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene
SMILESCOc1c(C)ccc(F)c1COC1CCCC1
InChIInChI=1S/C14H19FO2/c1-10-7-8-13(15)12(14(10)16-2)9-17-11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyFIZATMLJDIBNKE-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.60
Rot. Bonds4

About 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene

2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene (PubChem CID 167222022) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene
PubChem CID167222022
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene
SMILESCOc1c(C)ccc(F)c1COC1CCCC1
InChIInChI=1S/C14H19FO2/c1-10-7-8-13(15)12(14(10)16-2)9-17-11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyFIZATMLJDIBNKE-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
CID 167211953
1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene
CID 106269710
2-(cyclopentyloxymethyl)-3-fluoroaniline
CID 63331594
1-bromo-3-(cyclobutyloxymethyl)-2,4-difluorobenzene
CID 106269971
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
4-[(2,3,6-trifluorophenyl)methoxy]piperidine
CID 68519539
2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117422077
1-bromo-2,4-difluoro-3-[(4-methylcyclohexyl)oxymethyl]benzene
CID 106269828
butane;1,2-difluoro-3-methoxy-4-methylbenzene
CID 166159976
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
4-[3-(cyclopentyloxymethyl)-2-fluoro-4-(2-fluoro-3-methoxy-4,5-dimethylphenyl)anilino]oxane-4-carboxylic acid
CID 170280632

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene?
The IUPAC name of 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene (CID 167222022) is 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene?
The canonical SMILES for 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene is COc1c(C)ccc(F)c1COC1CCCC1.
What is the InChIKey of 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene?
The InChIKey is FIZATMLJDIBNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-10-7-8-13(15)12(14(10)16-2)9-17-11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene?
2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene has a molecular weight of 238.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene is sourced from PubChem (CID 167222022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).