5-(oxiran-2-ylmethoxy)naphthalen-1-ol

C13H12O3 — CID 13305201

IUPAC5-(oxiran-2-ylmethoxy)naphthalen-1-ol
SMILESOc1cccc2c(OCC3CO3)cccc12
InChIInChI=1S/C13H12O3/c14-12-5-1-4-11-10(12)3-2-6-13(11)16-8-9-7-15-9/h1-6,9,14H,7-8H2
InChIKeyPTGMVSHWGCETKC-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.32
Rot. Bonds3

About 5-(oxiran-2-ylmethoxy)naphthalen-1-ol

5-(oxiran-2-ylmethoxy)naphthalen-1-ol (PubChem CID 13305201) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(oxiran-2-ylmethoxy)naphthalen-1-ol.

Molecular Properties

Compound Name5-(oxiran-2-ylmethoxy)naphthalen-1-ol
PubChem CID13305201
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-(oxiran-2-ylmethoxy)naphthalen-1-ol
SMILESOc1cccc2c(OCC3CO3)cccc12
InChIInChI=1S/C13H12O3/c14-12-5-1-4-11-10(12)3-2-6-13(11)16-8-9-7-15-9/h1-6,9,14H,7-8H2
InChIKeyPTGMVSHWGCETKC-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol
CID 163607485
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061
2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 170966170
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
CID 22999320
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane
CID 155190944

Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-ylmethoxy)naphthalen-1-ol?
The IUPAC name of 5-(oxiran-2-ylmethoxy)naphthalen-1-ol (CID 13305201) is 5-(oxiran-2-ylmethoxy)naphthalen-1-ol.
What is the SMILES notation for 5-(oxiran-2-ylmethoxy)naphthalen-1-ol?
The canonical SMILES for 5-(oxiran-2-ylmethoxy)naphthalen-1-ol is Oc1cccc2c(OCC3CO3)cccc12.
What is the InChIKey of 5-(oxiran-2-ylmethoxy)naphthalen-1-ol?
The InChIKey is PTGMVSHWGCETKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-12-5-1-4-11-10(12)3-2-6-13(11)16-8-9-7-15-9/h1-6,9,14H,7-8H2.
What are the key properties of 5-(oxiran-2-ylmethoxy)naphthalen-1-ol?
5-(oxiran-2-ylmethoxy)naphthalen-1-ol has a molecular weight of 216.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxiran-2-ylmethoxy)naphthalen-1-ol is sourced from PubChem (CID 13305201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).