4-[naphthalen-2-yl(phenyl)methylidene]oxane

C22H20O — CID 127053131

IUPAC4-[naphthalen-2-yl(phenyl)methylidene]oxane
SMILESc1ccc(C(=C2CCOCC2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20O/c1-2-7-18(8-3-1)22(19-12-14-23-15-13-19)21-11-10-17-6-4-5-9-20(17)16-21/h1-11,16H,12-15H2
InChIKeyJNDRSWAKNNEOMQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.45
Rot. Bonds2

About 4-[naphthalen-2-yl(phenyl)methylidene]oxane

4-[naphthalen-2-yl(phenyl)methylidene]oxane (PubChem CID 127053131) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[naphthalen-2-yl(phenyl)methylidene]oxane.

Molecular Properties

Compound Name4-[naphthalen-2-yl(phenyl)methylidene]oxane
PubChem CID127053131
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name4-[naphthalen-2-yl(phenyl)methylidene]oxane
SMILESc1ccc(C(=C2CCOCC2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20O/c1-2-7-18(8-3-1)22(19-12-14-23-15-13-19)21-11-10-17-6-4-5-9-20(17)16-21/h1-11,16H,12-15H2
InChIKeyJNDRSWAKNNEOMQ-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6001
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7-Ethylbenz(a)anthracene
CID 19430
7,8,12-Trimethylbenz(a)anthracene
CID 83363
1-Pyrenebutanol
CID 2762672
6,8-Dimethylbenz[a]anthracene
CID 67570
AR-G51 5,8-Dimethylbenzo(C)phenanthrene
CID 94573
2,2'-(Z)-ethene-1,2-diyldinaphthalene
CID 1550703
1,1'-Binaphthalene, 2,2'-dimethyl-
CID 141748
9-Benzyl-anthracene
CID 264401
2,3-Diphenylnaphthalene
CID 4440812

Frequently Asked Questions

What is the IUPAC name of 4-[naphthalen-2-yl(phenyl)methylidene]oxane?
The IUPAC name of 4-[naphthalen-2-yl(phenyl)methylidene]oxane (CID 127053131) is 4-[naphthalen-2-yl(phenyl)methylidene]oxane.
What is the SMILES notation for 4-[naphthalen-2-yl(phenyl)methylidene]oxane?
The canonical SMILES for 4-[naphthalen-2-yl(phenyl)methylidene]oxane is c1ccc(C(=C2CCOCC2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[naphthalen-2-yl(phenyl)methylidene]oxane?
The InChIKey is JNDRSWAKNNEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-2-7-18(8-3-1)22(19-12-14-23-15-13-19)21-11-10-17-6-4-5-9-20(17)16-21/h1-11,16H,12-15H2.
What are the key properties of 4-[naphthalen-2-yl(phenyl)methylidene]oxane?
4-[naphthalen-2-yl(phenyl)methylidene]oxane has a molecular weight of 300.40 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[naphthalen-2-yl(phenyl)methylidene]oxane is sourced from PubChem (CID 127053131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).