1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene

C16H23FO — CID 146353183

IUPAC1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene
SMILESCCCC(C)(C)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C16H23FO/c1-4-9-16(2,3)13-7-8-15(14(17)10-13)18-11-12-5-6-12/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyAPDAMHUZJMHKJL-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.69
Rot. Bonds6

About 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene

1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene (PubChem CID 146353183) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene
PubChem CID146353183
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene
SMILESCCCC(C)(C)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C16H23FO/c1-4-9-16(2,3)13-7-8-15(14(17)10-13)18-11-12-5-6-12/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyAPDAMHUZJMHKJL-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
2-fluoro-1-[(4-pentylcyclohexyl)methoxy]-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19008189
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
1,2,4-trifluoro-5-[(4-pentylcyclohexyl)methoxy]benzene
CID 15250368
4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
CID 53410034
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
CID 67791440
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
CID 117343498
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene?
The IUPAC name of 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene (CID 146353183) is 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene.
What is the SMILES notation for 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene?
The canonical SMILES for 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene is CCCC(C)(C)c1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene?
The InChIKey is APDAMHUZJMHKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-4-9-16(2,3)13-7-8-15(14(17)10-13)18-11-12-5-6-12/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene?
1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene has a molecular weight of 250.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene is sourced from PubChem (CID 146353183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).