1-(4-chlorohexyl)-2-methoxybenzene

C13H19ClO — CID 64507973

IUPAC1-(4-chlorohexyl)-2-methoxybenzene
SMILESCCC(Cl)CCCc1ccccc1OC
InChIInChI=1S/C13H19ClO/c1-3-12(14)9-6-8-11-7-4-5-10-13(11)15-2/h4-5,7,10,12H,3,6,8-9H2,1-2H3
InChIKeyOSUSKBHMBIZUIV-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.04
Rot. Bonds6

About 1-(4-chlorohexyl)-2-methoxybenzene

1-(4-chlorohexyl)-2-methoxybenzene (PubChem CID 64507973) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(4-chlorohexyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(4-chlorohexyl)-2-methoxybenzene
PubChem CID64507973
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-(4-chlorohexyl)-2-methoxybenzene
SMILESCCC(Cl)CCCc1ccccc1OC
InChIInChI=1S/C13H19ClO/c1-3-12(14)9-6-8-11-7-4-5-10-13(11)15-2/h4-5,7,10,12H,3,6,8-9H2,1-2H3
InChIKeyOSUSKBHMBIZUIV-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.04
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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorohexyl)-2-methoxybenzene?
The IUPAC name of 1-(4-chlorohexyl)-2-methoxybenzene (CID 64507973) is 1-(4-chlorohexyl)-2-methoxybenzene.
What is the SMILES notation for 1-(4-chlorohexyl)-2-methoxybenzene?
The canonical SMILES for 1-(4-chlorohexyl)-2-methoxybenzene is CCC(Cl)CCCc1ccccc1OC.
What is the InChIKey of 1-(4-chlorohexyl)-2-methoxybenzene?
The InChIKey is OSUSKBHMBIZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-3-12(14)9-6-8-11-7-4-5-10-13(11)15-2/h4-5,7,10,12H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(4-chlorohexyl)-2-methoxybenzene?
1-(4-chlorohexyl)-2-methoxybenzene has a molecular weight of 226.75 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorohexyl)-2-methoxybenzene is sourced from PubChem (CID 64507973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).