2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane

C23H24O3 — CID 19756612

IUPAC2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane
SMILESCC1(C)OCC(C)(c2cccc(OCc3ccc4ccccc4c3)c2)O1
InChIInChI=1S/C23H24O3/c1-22(2)25-16-23(3,26-22)20-9-6-10-21(14-20)24-15-17-11-12-18-7-4-5-8-19(18)13-17/h4-14H,15-16H2,1-3H3
InChIKeyAIRZHPDCMTXKGD-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.42
Rot. Bonds4

About 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane

2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane (PubChem CID 19756612) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane
PubChem CID19756612
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane
SMILESCC1(C)OCC(C)(c2cccc(OCc3ccc4ccccc4c3)c2)O1
InChIInChI=1S/C23H24O3/c1-22(2)25-16-23(3,26-22)20-9-6-10-21(14-20)24-15-17-11-12-18-7-4-5-8-19(18)13-17/h4-14H,15-16H2,1-3H3
InChIKeyAIRZHPDCMTXKGD-UHFFFAOYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene
CID 19899554
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 14985908
2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol
CID 70356366
4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 19899551
N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine
CID 22857844
(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol
CID 67797905
(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane
CID 154446949
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
CID 10427847
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
CID 14985899
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane?
The IUPAC name of 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane (CID 19756612) is 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane?
The canonical SMILES for 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane is CC1(C)OCC(C)(c2cccc(OCc3ccc4ccccc4c3)c2)O1.
What is the InChIKey of 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane?
The InChIKey is AIRZHPDCMTXKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-22(2)25-16-23(3,26-22)20-9-6-10-21(14-20)24-15-17-11-12-18-7-4-5-8-19(18)13-17/h4-14H,15-16H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane?
2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane has a molecular weight of 348.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]-1,3-dioxolane is sourced from PubChem (CID 19756612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).