2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol

C23H24O3 — CID 70356366

IUPAC2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol
SMILESCC1(O)CC(c2cccc(OCc3ccc4ccccc4c3)c2)CCO1
InChIInChI=1S/C23H24O3/c1-23(24)15-21(11-12-26-23)20-7-4-8-22(14-20)25-16-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,21,24H,11-12,15-16H2,1H3
InChIKeyUSCLVLLSFKFKBN-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.02
Rot. Bonds4

About 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol

2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol (PubChem CID 70356366) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol
PubChem CID70356366
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol
SMILESCC1(O)CC(c2cccc(OCc3ccc4ccccc4c3)c2)CCO1
InChIInChI=1S/C23H24O3/c1-23(24)15-21(11-12-26-23)20-7-4-8-22(14-20)25-16-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,21,24H,11-12,15-16H2,1H3
InChIKeyUSCLVLLSFKFKBN-UHFFFAOYSA-N
XLogP5.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol?
The IUPAC name of 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol (CID 70356366) is 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol.
What is the SMILES notation for 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol?
The canonical SMILES for 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol is CC1(O)CC(c2cccc(OCc3ccc4ccccc4c3)c2)CCO1.
What is the InChIKey of 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol?
The InChIKey is USCLVLLSFKFKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-23(24)15-21(11-12-26-23)20-7-4-8-22(14-20)25-16-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,21,24H,11-12,15-16H2,1H3.
What are the key properties of 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol?
2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol has a molecular weight of 348.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-2-ol is sourced from PubChem (CID 70356366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).