2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene

C22H20O2 — CID 11370501

IUPAC2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene
SMILESCO/C=C/c1cccc(/C=C/OC)c1-c1ccc2ccccc2c1
InChIInChI=1S/C22H20O2/c1-23-14-12-18-8-5-9-19(13-15-24-2)22(18)21-11-10-17-6-3-4-7-20(17)16-21/h3-16H,1-2H3/b14-12+,15-13+
InChIKeyUTJDNSAPCONTKX-QUMQEAAQSA-N
MW316.40 g/mol
LogP5.74
Rot. Bonds5

About 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene

2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene (PubChem CID 11370501) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene
PubChem CID11370501
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene
SMILESCO/C=C/c1cccc(/C=C/OC)c1-c1ccc2ccccc2c1
InChIInChI=1S/C22H20O2/c1-23-14-12-18-8-5-9-19(13-15-24-2)22(18)21-11-10-17-6-3-4-7-20(17)16-21/h3-16H,1-2H3/b14-12+,15-13+
InChIKeyUTJDNSAPCONTKX-QUMQEAAQSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Anthracene
CID 8418
Phenanthrene
CID 995
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
5-Methylchrysene
CID 19427
9,10-Dimethylanthracene
CID 13076
8-Methylbenz(a)anthracene
CID 16933
12-Methylbenz(a)anthracene
CID 17026
7-Methylbenz(a)anthracene
CID 17347
1-Methylphenanthrene
CID 13257
Retene
CID 10222
6-Methylchrysene
CID 15564

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene?
The IUPAC name of 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene (CID 11370501) is 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene.
What is the SMILES notation for 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene?
The canonical SMILES for 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene is CO/C=C/c1cccc(/C=C/OC)c1-c1ccc2ccccc2c1.
What is the InChIKey of 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene?
The InChIKey is UTJDNSAPCONTKX-QUMQEAAQSA-N. The full InChI is InChI=1S/C22H20O2/c1-23-14-12-18-8-5-9-19(13-15-24-2)22(18)21-11-10-17-6-3-4-7-20(17)16-21/h3-16H,1-2H3/b14-12+,15-13+.
What are the key properties of 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene?
2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene has a molecular weight of 316.40 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis[(E)-2-methoxyethenyl]phenyl]naphthalene is sourced from PubChem (CID 11370501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).