2-(4-chlorobutyl)-1-methoxynaphthalene

C15H17ClO — CID 15617937

IUPAC2-(4-chlorobutyl)-1-methoxynaphthalene
SMILESCOc1c(CCCCCl)ccc2ccccc12
InChIInChI=1S/C15H17ClO/c1-17-15-13(7-4-5-11-16)10-9-12-6-2-3-8-14(12)15/h2-3,6,8-10H,4-5,7,11H2,1H3
InChIKeyRAISJVVUMAHVET-UHFFFAOYSA-N
MW248.75 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-chlorobutyl)-1-methoxynaphthalene

2-(4-chlorobutyl)-1-methoxynaphthalene (PubChem CID 15617937) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 2-(4-chlorobutyl)-1-methoxynaphthalene.

Molecular Properties

Compound Name2-(4-chlorobutyl)-1-methoxynaphthalene
PubChem CID15617937
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name2-(4-chlorobutyl)-1-methoxynaphthalene
SMILESCOc1c(CCCCCl)ccc2ccccc12
InChIInChI=1S/C15H17ClO/c1-17-15-13(7-4-5-11-16)10-9-12-6-2-3-8-14(12)15/h2-3,6,8-10H,4-5,7,11H2,1H3
InChIKeyRAISJVVUMAHVET-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 54.41
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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Related Compounds

1-methoxy-2-propylnaphthalene
CID 19091368
1,9,10-trimethoxy-2-pentylanthracene
CID 175607146
1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
CID 15852631
2-benzyl-1-methoxynaphthalene
CID 15617899
1-(3-chloropropyl)-2-methoxy-3-methylbenzene
CID 135743349
2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
CID 166953563
3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
1-(4-methoxybutyl)naphthalene
CID 69278949
tris(2-octadecylnaphthalen-1-yl) phosphate
CID 139785035
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
9-(9-chlorononoxy)anthracene
CID 21280847
(2-octylnaphthalen-1-yl) hydrogen sulfite
CID 155147504

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutyl)-1-methoxynaphthalene?
The IUPAC name of 2-(4-chlorobutyl)-1-methoxynaphthalene (CID 15617937) is 2-(4-chlorobutyl)-1-methoxynaphthalene.
What is the SMILES notation for 2-(4-chlorobutyl)-1-methoxynaphthalene?
The canonical SMILES for 2-(4-chlorobutyl)-1-methoxynaphthalene is COc1c(CCCCCl)ccc2ccccc12.
What is the InChIKey of 2-(4-chlorobutyl)-1-methoxynaphthalene?
The InChIKey is RAISJVVUMAHVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c1-17-15-13(7-4-5-11-16)10-9-12-6-2-3-8-14(12)15/h2-3,6,8-10H,4-5,7,11H2,1H3.
What are the key properties of 2-(4-chlorobutyl)-1-methoxynaphthalene?
2-(4-chlorobutyl)-1-methoxynaphthalene has a molecular weight of 248.75 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutyl)-1-methoxynaphthalene is sourced from PubChem (CID 15617937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).