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

C12H16ClFO — CID 82782154

IUPAC2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
SMILESCCC(Cl)CCc1cc(F)ccc1OC
InChIInChI=1S/C12H16ClFO/c1-3-10(13)5-4-9-8-11(14)6-7-12(9)15-2/h6-8,10H,3-5H2,1-2H3
InChIKeyOPPOEZSNKHKYLI-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.78
Rot. Bonds5

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

2-(3-chloropentyl)-4-fluoro-1-methoxybenzene (PubChem CID 82782154) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
PubChem CID82782154
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
SMILESCCC(Cl)CCc1cc(F)ccc1OC
InChIInChI=1S/C12H16ClFO/c1-3-10(13)5-4-9-8-11(14)6-7-12(9)15-2/h6-8,10H,3-5H2,1-2H3
InChIKeyOPPOEZSNKHKYLI-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736
1-(4-chlorohexyl)-2-methoxybenzene
CID 64507973
2-(3-chloro-4-methoxybutyl)-4-fluoro-1-methylbenzene
CID 105374733
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
4-fluoro-2-hex-3-ynyl-1-methoxybenzene
CID 83943934
4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
CID 62319479
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251726

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene (CID 82782154) is 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene is CCC(Cl)CCc1cc(F)ccc1OC.
What is the InChIKey of 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene?
The InChIKey is OPPOEZSNKHKYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-3-10(13)5-4-9-8-11(14)6-7-12(9)15-2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene?
2-(3-chloropentyl)-4-fluoro-1-methoxybenzene has a molecular weight of 230.71 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropentyl)-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 82782154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).