1-(1-chlorobutyl)-4-methoxynaphthalene

C15H17ClO — CID 63430592

IUPAC1-(1-chlorobutyl)-4-methoxynaphthalene
SMILESCCCC(Cl)c1ccc(OC)c2ccccc12
InChIInChI=1S/C15H17ClO/c1-3-6-14(16)12-9-10-15(17-2)13-8-5-4-7-11(12)13/h4-5,7-10,14H,3,6H2,1-2H3
InChIKeyFNRLYDUUUJXINC-UHFFFAOYSA-N
MW248.75 g/mol
LogP4.93
Rot. Bonds4

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

1-(1-chlorobutyl)-4-methoxynaphthalene (PubChem CID 63430592) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 1-(1-chlorobutyl)-4-methoxynaphthalene.

Molecular Properties

Compound Name1-(1-chlorobutyl)-4-methoxynaphthalene
PubChem CID63430592
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name1-(1-chlorobutyl)-4-methoxynaphthalene
SMILESCCCC(Cl)c1ccc(OC)c2ccccc12
InChIInChI=1S/C15H17ClO/c1-3-6-14(16)12-9-10-15(17-2)13-8-5-4-7-11(12)13/h4-5,7-10,14H,3,6H2,1-2H3
InChIKeyFNRLYDUUUJXINC-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 54.93
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-(1-chloro-2-ethylbutyl)-4-methoxynaphthalene
CID 63430865
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
CID 170818647
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468

Frequently Asked Questions

What is the IUPAC name of 1-(1-chlorobutyl)-4-methoxynaphthalene?
The IUPAC name of 1-(1-chlorobutyl)-4-methoxynaphthalene (CID 63430592) is 1-(1-chlorobutyl)-4-methoxynaphthalene.
What is the SMILES notation for 1-(1-chlorobutyl)-4-methoxynaphthalene?
The canonical SMILES for 1-(1-chlorobutyl)-4-methoxynaphthalene is CCCC(Cl)c1ccc(OC)c2ccccc12.
What is the InChIKey of 1-(1-chlorobutyl)-4-methoxynaphthalene?
The InChIKey is FNRLYDUUUJXINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c1-3-6-14(16)12-9-10-15(17-2)13-8-5-4-7-11(12)13/h4-5,7-10,14H,3,6H2,1-2H3.
What are the key properties of 1-(1-chlorobutyl)-4-methoxynaphthalene?
1-(1-chlorobutyl)-4-methoxynaphthalene has a molecular weight of 248.75 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chlorobutyl)-4-methoxynaphthalene is sourced from PubChem (CID 63430592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).