4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane

C16H25FO — CID 142580919

IUPAC4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
SMILESCCC.CCCc1cc(OCC2CC2)ccc1F
InChIInChI=1S/C13H17FO.C3H8/c1-2-3-11-8-12(6-7-13(11)14)15-9-10-4-5-10;1-3-2/h6-8,10H,2-5,9H2,1H3;3H2,1-2H3
InChIKeyRGCUQDGHGXTCJO-UHFFFAOYSA-N
MW252.37 g/mol
LogP4.98
Rot. Bonds5

About 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane

4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane (PubChem CID 142580919) has the molecular formula C16H25FO and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
PubChem CID142580919
Molecular FormulaC16H25FO
Molecular Weight252.37 g/mol
Exact Mass252.19
IUPAC Name4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
SMILESCCC.CCCc1cc(OCC2CC2)ccc1F
InChIInChI=1S/C13H17FO.C3H8/c1-2-3-11-8-12(6-7-13(11)14)15-9-10-4-5-10;1-3-2/h6-8,10H,2-5,9H2,1H3;3H2,1-2H3
InChIKeyRGCUQDGHGXTCJO-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
CID 58141457
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977
4-(cyclopropylmethoxy)-2-(difluoromethoxy)-1-fluorobenzene
CID 141339892
(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
CID 142361370
butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane
CID 145351203
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
[fluoro-(4-fluoro-3-propylphenoxy)methyl]phosphane
CID 163242160
butan-2-imine;4-(cyclopropylmethoxy)-1-fluoro-2-(propoxymethyl)benzene;ethane;methoxyethane;methoxymethane
CID 145351179
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
CID 65203320
2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene
CID 67791114

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane?
The IUPAC name of 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane (CID 142580919) is 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane.
What is the SMILES notation for 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane?
The canonical SMILES for 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane is CCC.CCCc1cc(OCC2CC2)ccc1F.
What is the InChIKey of 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane?
The InChIKey is RGCUQDGHGXTCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO.C3H8/c1-2-3-11-8-12(6-7-13(11)14)15-9-10-4-5-10;1-3-2/h6-8,10H,2-5,9H2,1H3;3H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane?
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane has a molecular weight of 252.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane is sourced from PubChem (CID 142580919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).