2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene

C19H13ClO — CID 67211942

IUPAC2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C#Cc3ccccc3Cl)ccc2c1
InChIInChI=1S/C19H13ClO/c1-21-18-11-10-16-12-14(7-9-17(16)13-18)6-8-15-4-2-3-5-19(15)20/h2-5,7,9-13H,1H3
InChIKeyZJYFWPZRKONAHK-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.90
Rot. Bonds1

About 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene

2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene (PubChem CID 67211942) has the molecular formula C19H13ClO and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene
PubChem CID67211942
Molecular FormulaC19H13ClO
Molecular Weight292.76 g/mol
Exact Mass292.07
IUPAC Name2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene
SMILESCOc1ccc2cc(C#Cc3ccccc3Cl)ccc2c1
InChIInChI=1S/C19H13ClO/c1-21-18-11-10-16-12-14(7-9-17(16)13-18)6-8-15-4-2-3-5-19(15)20/h2-5,7,9-13H,1H3
InChIKeyZJYFWPZRKONAHK-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.90
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

2-[2-[2,5-dibutoxy-4-[2-[2,5-dibutoxy-4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]-6-methoxynaphthalene
CID 102449941
2,7-bis[2-(3-methoxyphenyl)ethynyl]naphthalene
CID 171920371
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
2-[2-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419198
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
1-[2-(4-methoxyphenyl)ethynyl]anthracene
CID 12635754
2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
CID 54995772
2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene
CID 102082039
2,7-bis[2-(2-methoxyphenyl)ethynyl]pyrene
CID 102431257
2-fluoro-6-[2-[4-[2-(2-fluoro-4-methoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857229
1-[2-[2-[2-(3,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-3,5-dimethoxybenzene
CID 170457008
4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
CID 63996890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene?
The IUPAC name of 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene (CID 67211942) is 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene is COc1ccc2cc(C#Cc3ccccc3Cl)ccc2c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene?
The InChIKey is ZJYFWPZRKONAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO/c1-21-18-11-10-16-12-14(7-9-17(16)13-18)6-8-15-4-2-3-5-19(15)20/h2-5,7,9-13H,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene?
2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene has a molecular weight of 292.76 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene is sourced from PubChem (CID 67211942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).