2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene

C32H32O2 — CID 19912563

IUPAC2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene
SMILESCCCCCCOc1ccc(-c2ccc(C#Cc3ccc4cc(OCC)ccc4c3)cc2)cc1
InChIInChI=1S/C32H32O2/c1-3-5-6-7-22-34-31-19-16-28(17-20-31)27-13-10-25(11-14-27)8-9-26-12-15-30-24-32(33-4-2)21-18-29(30)23-26/h10-21,23-24H,3-7,22H2,1-2H3
InChIKeyBFNKXGQXNPSOGO-UHFFFAOYSA-N
MW448.61 g/mol
LogP8.26
Rot. Bonds9

About 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene

2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene (PubChem CID 19912563) has the molecular formula C32H32O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene.

Molecular Properties

Compound Name2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene
PubChem CID19912563
Molecular FormulaC32H32O2
Molecular Weight448.61 g/mol
Exact Mass448.24
IUPAC Name2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene
SMILESCCCCCCOc1ccc(-c2ccc(C#Cc3ccc4cc(OCC)ccc4c3)cc2)cc1
InChIInChI=1S/C32H32O2/c1-3-5-6-7-22-34-31-19-16-28(17-20-31)27-13-10-25(11-14-27)8-9-26-12-15-30-24-32(33-4-2)21-18-29(30)23-26/h10-21,23-24H,3-7,22H2,1-2H3
InChIKeyBFNKXGQXNPSOGO-UHFFFAOYSA-N
XLogP8.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octoxy-6-[2-(6-octoxynaphthalen-2-yl)ethynyl]naphthalene
CID 102591581
2,6-bis[2-(4-heptoxyphenyl)ethynyl]naphthalene
CID 58721178
2-heptoxy-6-[2-(4-methoxyphenyl)ethynyl]naphthalene
CID 19912629
2-hexoxy-6-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 19912559
2-heptoxy-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 19912357
2-[2-(4-butylphenyl)ethynyl]-6-hexoxynaphthalene
CID 19912577
2-heptoxy-6-[2-(4-pentylphenyl)ethynyl]naphthalene
CID 19912485
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2-butoxy-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 19912302
1-dodecoxy-4-[2-(4-dodecoxyphenyl)ethynyl]benzene
CID 11827720
2-propoxy-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
CID 19912404
2-(3-chloroprop-1-ynyl)-6-pentoxynaphthalene
CID 63419004

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene?
The IUPAC name of 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene (CID 19912563) is 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene.
What is the SMILES notation for 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene?
The canonical SMILES for 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene is CCCCCCOc1ccc(-c2ccc(C#Cc3ccc4cc(OCC)ccc4c3)cc2)cc1.
What is the InChIKey of 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene?
The InChIKey is BFNKXGQXNPSOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O2/c1-3-5-6-7-22-34-31-19-16-28(17-20-31)27-13-10-25(11-14-27)8-9-26-12-15-30-24-32(33-4-2)21-18-29(30)23-26/h10-21,23-24H,3-7,22H2,1-2H3.
What are the key properties of 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene?
2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene has a molecular weight of 448.61 g/mol, XLogP of 8.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[2-[4-(4-hexoxyphenyl)phenyl]ethynyl]naphthalene is sourced from PubChem (CID 19912563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).