2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane

C14H14O2 — CID 129074160

IUPAC2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
SMILESCc1cccc2c(OCC3CO3)cccc12
InChIInChI=1S/C14H14O2/c1-10-4-2-6-13-12(10)5-3-7-14(13)16-9-11-8-15-11/h2-7,11H,8-9H2,1H3
InChIKeyVMORYPQIHKGYCS-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.93
Rot. Bonds3

About 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane

2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane (PubChem CID 129074160) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
PubChem CID129074160
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
SMILESCc1cccc2c(OCC3CO3)cccc12
InChIInChI=1S/C14H14O2/c1-10-4-2-6-13-12(10)5-3-7-14(13)16-9-11-8-15-11/h2-7,11H,8-9H2,1H3
InChIKeyVMORYPQIHKGYCS-UHFFFAOYSA-N
XLogP2.93
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol
CID 163607485
[3-methyl-2-(oxiran-2-ylmethoxy)phenyl] acetate
CID 131876567
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 170966170
2-methyl-4-[[(2S)-oxiran-2-yl]methoxy]-1H-indole;sulfane
CID 158839388
2-[(2,3-dibutylphenoxy)methyl]oxirane
CID 154323434
2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane
CID 56607199

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane (CID 129074160) is 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane is Cc1cccc2c(OCC3CO3)cccc12.
What is the InChIKey of 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane?
The InChIKey is VMORYPQIHKGYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-4-2-6-13-12(10)5-3-7-14(13)16-9-11-8-15-11/h2-7,11H,8-9H2,1H3.
What are the key properties of 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane?
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane has a molecular weight of 214.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane is sourced from PubChem (CID 129074160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).