1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene

C19H25FO — CID 142218123

IUPAC1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
SMILESCCCc1cccc(F)c1.CCCc1ccccc1OC
InChIInChI=1S/C10H14O.C9H11F/c1-3-6-9-7-4-5-8-10(9)11-2;1-2-4-8-5-3-6-9(10)7-8/h4-5,7-8H,3,6H2,1-2H3;3,5-7H,2,4H2,1H3
InChIKeyJSLWTLHBCUCQIR-UHFFFAOYSA-N
MW288.41 g/mol
LogP5.43
Rot. Bonds5

About 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene

1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene (PubChem CID 142218123) has the molecular formula C19H25FO and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene.

Molecular Properties

Compound Name1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
PubChem CID142218123
Molecular FormulaC19H25FO
Molecular Weight288.41 g/mol
Exact Mass288.19
IUPAC Name1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene
SMILESCCCc1cccc(F)c1.CCCc1ccccc1OC
InChIInChI=1S/C10H14O.C9H11F/c1-3-6-9-7-4-5-8-10(9)11-2;1-2-4-8-5-3-6-9(10)7-8/h4-5,7-8H,3,6H2,1-2H3;3,5-7H,2,4H2,1H3
InChIKeyJSLWTLHBCUCQIR-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.41
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2249443
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N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
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1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
CID 66041110
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
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N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
1-methoxy-8-propylnaphthalene
CID 22401887
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111396706
1-methoxy-2-tetradecylbenzene
CID 69169530
acetylene;1-butyl-3-fluorobenzene
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1-ethyl-2-[(3-fluorophenyl)methyl]-3-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109406843

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene?
The IUPAC name of 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene (CID 142218123) is 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene.
What is the SMILES notation for 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene?
The canonical SMILES for 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene is CCCc1cccc(F)c1.CCCc1ccccc1OC.
What is the InChIKey of 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene?
The InChIKey is JSLWTLHBCUCQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H11F/c1-3-6-9-7-4-5-8-10(9)11-2;1-2-4-8-5-3-6-9(10)7-8/h4-5,7-8H,3,6H2,1-2H3;3,5-7H,2,4H2,1H3.
What are the key properties of 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene?
1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene has a molecular weight of 288.41 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-propylbenzene;1-methoxy-2-propylbenzene is sourced from PubChem (CID 142218123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).