2-methoxy-1,4-bis(2-phenylethynyl)naphthalene

C27H18O — CID 59188694

IUPAC2-methoxy-1,4-bis(2-phenylethynyl)naphthalene
SMILESCOc1cc(C#Cc2ccccc2)c2ccccc2c1C#Cc1ccccc1
InChIInChI=1S/C27H18O/c1-28-27-20-23(18-16-21-10-4-2-5-11-21)24-14-8-9-15-25(24)26(27)19-17-22-12-6-3-7-13-22/h2-15,20H,1H3
InChIKeyLZOXTIPTJOWOOI-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.65
Rot. Bonds1

About 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene

2-methoxy-1,4-bis(2-phenylethynyl)naphthalene (PubChem CID 59188694) has the molecular formula C27H18O and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene.

Molecular Properties

Compound Name2-methoxy-1,4-bis(2-phenylethynyl)naphthalene
PubChem CID59188694
Molecular FormulaC27H18O
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name2-methoxy-1,4-bis(2-phenylethynyl)naphthalene
SMILESCOc1cc(C#Cc2ccccc2)c2ccccc2c1C#Cc1ccccc1
InChIInChI=1S/C27H18O/c1-28-27-20-23(18-16-21-10-4-2-5-11-21)24-14-8-9-15-25(24)26(27)19-17-22-12-6-3-7-13-22/h2-15,20H,1H3
InChIKeyLZOXTIPTJOWOOI-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxy-9,10-bis(2-phenylethynyl)anthracene
CID 71421350
1,5-dimethoxy-9,10-bis(2-phenylethynyl)anthracene
CID 71421348
1,2,4,5,8-pentamethoxy-7-(2-phenylethynyl)naphthalene
CID 11132771
2-tert-butyl-1,4-bis(2-phenylethynyl)naphthalene
CID 169050020
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
1,2,3-trimethoxy-4-(2-phenylethynyl)benzene
CID 101461582
3,10,13,20-tetrakis(2-phenylethynyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 71519456
4-chloro-1-methoxy-2-(2-phenylethynyl)benzene
CID 72711446
1-methoxy-4-phenyl-2-(2-phenylethynyl)benzene
CID 68910717
9-(2-phenylethynyl)phenanthrene
CID 71412367
1-(2-phenylethynyl)-5-[5-(2-phenylethynyl)naphthalen-1-yl]naphthalene
CID 139963297
2-methoxy-1-[2-methoxy-5,8-bis(2-phenylethynyl)naphthalen-1-yl]-5,8-bis(2-phenylethynyl)naphthalene
CID 139963203

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene?
The IUPAC name of 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene (CID 59188694) is 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene.
What is the SMILES notation for 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene?
The canonical SMILES for 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene is COc1cc(C#Cc2ccccc2)c2ccccc2c1C#Cc1ccccc1.
What is the InChIKey of 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene?
The InChIKey is LZOXTIPTJOWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O/c1-28-27-20-23(18-16-21-10-4-2-5-11-21)24-14-8-9-15-25(24)26(27)19-17-22-12-6-3-7-13-22/h2-15,20H,1H3.
What are the key properties of 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene?
2-methoxy-1,4-bis(2-phenylethynyl)naphthalene has a molecular weight of 358.44 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,4-bis(2-phenylethynyl)naphthalene is sourced from PubChem (CID 59188694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).