4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde

C14H12O3 — CID 22999320

IUPAC4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(OCC2CO2)c2ccccc12
InChIInChI=1S/C14H12O3/c15-7-10-5-6-14(17-9-11-8-16-11)13-4-2-1-3-12(10)13/h1-7,11H,8-9H2
InChIKeyHTAJWACAURVJGG-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.43
Rot. Bonds4

About 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde

4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde (PubChem CID 22999320) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
PubChem CID22999320
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1ccc(OCC2CO2)c2ccccc12
InChIInChI=1S/C14H12O3/c15-7-10-5-6-14(17-9-11-8-16-11)13-4-2-1-3-12(10)13/h1-7,11H,8-9H2
InChIKeyHTAJWACAURVJGG-UHFFFAOYSA-N
XLogP2.43
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(sulfanylmethoxy)naphthalene-1-carbaldehyde
CID 88819340
4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 175222073
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10703784
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853
2-[[4-[2-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 174999091
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 129094170

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde (CID 22999320) is 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde is O=Cc1ccc(OCC2CO2)c2ccccc12.
What is the InChIKey of 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde?
The InChIKey is HTAJWACAURVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-7-10-5-6-14(17-9-11-8-16-11)13-4-2-1-3-12(10)13/h1-7,11H,8-9H2.
What are the key properties of 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde?
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 22999320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).