1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene

C17H25ClO — CID 63459510

IUPAC1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)CCOCCC1CCc2ccccc2C1Cl
InChIInChI=1S/C17H25ClO/c1-13(2)9-11-19-12-10-15-8-7-14-5-3-4-6-16(14)17(15)18/h3-6,13,15,17H,7-12H2,1-2H3
InChIKeyHQHOITFSFXGDOO-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.98
Rot. Bonds6

About 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene

1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63459510) has the molecular formula C17H25ClO and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63459510
Molecular FormulaC17H25ClO
Molecular Weight280.84 g/mol
Exact Mass280.16
IUPAC Name1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)CCOCCC1CCc2ccccc2C1Cl
InChIInChI=1S/C17H25ClO/c1-13(2)9-11-19-12-10-15-8-7-14-5-3-4-6-16(14)17(15)18/h3-6,13,15,17H,7-12H2,1-2H3
InChIKeyHQHOITFSFXGDOO-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 63459510) is 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene is CC(C)CCOCCC1CCc2ccccc2C1Cl.
What is the InChIKey of 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HQHOITFSFXGDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO/c1-13(2)9-11-19-12-10-15-8-7-14-5-3-4-6-16(14)17(15)18/h3-6,13,15,17H,7-12H2,1-2H3.
What are the key properties of 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene?
1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 280.84 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63459510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).