2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene

C15H13ClO2 — CID 65364529

IUPAC2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene
SMILESCOCOc1ccc2cc(C#CCCl)ccc2c1
InChIInChI=1S/C15H13ClO2/c1-17-11-18-15-7-6-13-9-12(3-2-8-16)4-5-14(13)10-15/h4-7,9-10H,8,11H2,1H3
InChIKeyMAUJWDSDRRTHNX-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.41
Rot. Bonds3

About 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene

2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene (PubChem CID 65364529) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene.

Molecular Properties

Compound Name2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene
PubChem CID65364529
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene
SMILESCOCOc1ccc2cc(C#CCCl)ccc2c1
InChIInChI=1S/C15H13ClO2/c1-17-11-18-15-7-6-13-9-12(3-2-8-16)4-5-14(13)10-15/h4-7,9-10H,8,11H2,1H3
InChIKeyMAUJWDSDRRTHNX-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroprop-1-ynyl)-6-pentoxynaphthalene
CID 63419004
1-(3-chloroprop-1-ynyl)-4-methoxybenzene
CID 60801100
2-(3-chloroprop-1-ynyl)-6-(difluoromethoxy)naphthalene
CID 54995919
2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
CID 54995772
1-(4-chlorobut-1-ynyl)-3-(methoxymethoxy)benzene
CID 65364467
1,4-bis(methoxymethoxy)benzene
CID 542643
1-(methoxymethoxy)-4-[4-[4-(methoxymethoxy)phenyl]buta-1,3-diynyl]benzene
CID 146373657
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
2-chloro-4-(3-chloroprop-1-ynyl)-1-methoxybenzene
CID 60801453
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
1-(3-chloroprop-1-ynyl)-3-(2-methylpropoxy)benzene
CID 60799909
2-octoxy-6-[2-(6-octoxynaphthalen-2-yl)ethynyl]naphthalene
CID 102591581

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene?
The IUPAC name of 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene (CID 65364529) is 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene.
What is the SMILES notation for 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene?
The canonical SMILES for 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene is COCOc1ccc2cc(C#CCCl)ccc2c1.
What is the InChIKey of 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene?
The InChIKey is MAUJWDSDRRTHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-17-11-18-15-7-6-13-9-12(3-2-8-16)4-5-14(13)10-15/h4-7,9-10H,8,11H2,1H3.
What are the key properties of 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene?
2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene has a molecular weight of 260.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-ynyl)-6-(methoxymethoxy)naphthalene is sourced from PubChem (CID 65364529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).