2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol

C16H18O2 — CID 82719332

IUPAC2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol
SMILESCC1OCCC1(O)Cc1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-12-16(17,9-10-18-12)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,17H,9-11H2,1H3
InChIKeyRABAGYVXSJTFHF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.92
Rot. Bonds2

About 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol

2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol (PubChem CID 82719332) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol
PubChem CID82719332
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol
SMILESCC1OCCC1(O)Cc1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-12-16(17,9-10-18-12)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,17H,9-11H2,1H3
InChIKeyRABAGYVXSJTFHF-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol?
The IUPAC name of 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol (CID 82719332) is 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol?
The canonical SMILES for 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol is CC1OCCC1(O)Cc1cccc2ccccc12.
What is the InChIKey of 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol?
The InChIKey is RABAGYVXSJTFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-12-16(17,9-10-18-12)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,17H,9-11H2,1H3.
What are the key properties of 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol?
2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol has a molecular weight of 242.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol is sourced from PubChem (CID 82719332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).