4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene

C16H23FO — CID 144669521

IUPAC4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene
SMILESCOc1cc(CCCC2CCCCC2)ccc1F
InChIInChI=1S/C16H23FO/c1-18-16-12-14(10-11-15(16)17)9-5-8-13-6-3-2-4-7-13/h10-13H,2-9H2,1H3
InChIKeyJAQZLLGDPPKWEY-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.74
Rot. Bonds5

About 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene

4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene (PubChem CID 144669521) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene
PubChem CID144669521
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene
SMILESCOc1cc(CCCC2CCCCC2)ccc1F
InChIInChI=1S/C16H23FO/c1-18-16-12-14(10-11-15(16)17)9-5-8-13-6-3-2-4-7-13/h10-13H,2-9H2,1H3
InChIKeyJAQZLLGDPPKWEY-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
CID 59545688
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
5-(4-fluoro-3-methoxyphenyl)pentanal
CID 147282830
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
CID 97334344
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene?
The IUPAC name of 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene (CID 144669521) is 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene.
What is the SMILES notation for 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene?
The canonical SMILES for 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene is COc1cc(CCCC2CCCCC2)ccc1F.
What is the InChIKey of 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene?
The InChIKey is JAQZLLGDPPKWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-18-16-12-14(10-11-15(16)17)9-5-8-13-6-3-2-4-7-13/h10-13H,2-9H2,1H3.
What are the key properties of 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene?
4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene has a molecular weight of 250.36 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropyl)-1-fluoro-2-methoxybenzene is sourced from PubChem (CID 144669521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).