4-(naphthalen-2-ylmethyl)oxane

C16H18O — CID 127053132

IUPAC4-(naphthalen-2-ylmethyl)oxane
SMILESc1ccc2cc(CC3CCOCC3)ccc2c1
InChIInChI=1S/C16H18O/c1-2-4-16-12-14(5-6-15(16)3-1)11-13-7-9-17-10-8-13/h1-6,12-13H,7-11H2
InChIKeyCXESJNDAXJSIQH-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.81
Rot. Bonds2

About 4-(naphthalen-2-ylmethyl)oxane

4-(naphthalen-2-ylmethyl)oxane (PubChem CID 127053132) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethyl)oxane.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethyl)oxane
PubChem CID127053132
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name4-(naphthalen-2-ylmethyl)oxane
SMILESc1ccc2cc(CC3CCOCC3)ccc2c1
InChIInChI=1S/C16H18O/c1-2-4-16-12-14(5-6-15(16)3-1)11-13-7-9-17-10-8-13/h1-6,12-13H,7-11H2
InChIKeyCXESJNDAXJSIQH-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Pyrenebutanol
CID 2762672
2-Naphthaleneethanol
CID 73877
3-Naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene
CID 70687403
Ether, bis(2-naphthylethyl)
CID 45455
2-Phenanthreneethanol, beta-methyl-
CID 218302
2-Phenanthreneethanol, 9,10-dihydro-beta-methyl-
CID 218303
2-(Naphthalen-2-yl)propan-1-ol
CID 10130270
3-(Naphthalen-1-yl)propan-1-ol
CID 14711518
3-Naphthalen-1-yl-8-oxabicyclo[3.2.1]oct-2-ene
CID 70685254
F 050
CID 197715
9-Anthraceneethanol
CID 281265
Oxirane, 2-(2-(1-naphthalenyl)ethyl)-
CID 135843

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethyl)oxane?
The IUPAC name of 4-(naphthalen-2-ylmethyl)oxane (CID 127053132) is 4-(naphthalen-2-ylmethyl)oxane.
What is the SMILES notation for 4-(naphthalen-2-ylmethyl)oxane?
The canonical SMILES for 4-(naphthalen-2-ylmethyl)oxane is c1ccc2cc(CC3CCOCC3)ccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethyl)oxane?
The InChIKey is CXESJNDAXJSIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-2-4-16-12-14(5-6-15(16)3-1)11-13-7-9-17-10-8-13/h1-6,12-13H,7-11H2.
What are the key properties of 4-(naphthalen-2-ylmethyl)oxane?
4-(naphthalen-2-ylmethyl)oxane has a molecular weight of 226.32 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethyl)oxane is sourced from PubChem (CID 127053132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).