2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene

C15H13ClO — CID 54995772

IUPAC2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
SMILESCOc1ccc2cc(C#CCCCl)ccc2c1
InChIInChI=1S/C15H13ClO/c1-17-15-8-7-13-10-12(4-2-3-9-16)5-6-14(13)11-15/h5-8,10-11H,3,9H2,1H3
InChIKeyGXDVJRCJOHPOLJ-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.83
Rot. Bonds2

About 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene

2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene (PubChem CID 54995772) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene.

Molecular Properties

Compound Name2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
PubChem CID54995772
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
SMILESCOc1ccc2cc(C#CCCCl)ccc2c1
InChIInChI=1S/C15H13ClO/c1-17-15-8-7-13-10-12(4-2-3-9-16)5-6-14(13)11-15/h5-8,10-11H,3,9H2,1H3
InChIKeyGXDVJRCJOHPOLJ-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
methyl 5-(6-methoxynaphthalen-2-yl)pent-4-ynoate
CID 102479006
1-(3-chloroprop-1-ynyl)-4-methoxybenzene
CID 60801100
2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene
CID 65364529
3-(4-chlorobut-1-ynyl)-5-methoxyaniline
CID 170467845
2-(3-chloroprop-1-ynyl)-6-(difluoromethoxy)naphthalene
CID 54995919
4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
CID 63996890
4-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]-1,2-dimethylbenzene
CID 63418429
2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene
CID 67211942
(E)-3-[5-(4-chlorobut-1-ynyl)-2-methoxyphenyl]prop-2-enoic acid
CID 170468623
2-(4-chlorobut-1-ynyl)-5-methoxy-1,3-dimethylbenzene
CID 170468047
1-hex-1-ynyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 67827439

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene?
The IUPAC name of 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene (CID 54995772) is 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene.
What is the SMILES notation for 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene?
The canonical SMILES for 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene is COc1ccc2cc(C#CCCCl)ccc2c1.
What is the InChIKey of 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene?
The InChIKey is GXDVJRCJOHPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-17-15-8-7-13-10-12(4-2-3-9-16)5-6-14(13)11-15/h5-8,10-11H,3,9H2,1H3.
What are the key properties of 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene?
2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene has a molecular weight of 244.72 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene is sourced from PubChem (CID 54995772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).