2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol

C14H14O4 — CID 121473061

IUPAC2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
SMILESCOc1cc(OCC2CO2)c2ccccc2c1O
InChIInChI=1S/C14H14O4/c1-16-13-6-12(18-8-9-7-17-9)10-4-2-3-5-11(10)14(13)15/h2-6,9,15H,7-8H2,1H3
InChIKeyAJPQKBGGJXPXEM-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.33
Rot. Bonds4

About 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol

2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol (PubChem CID 121473061) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol.

Molecular Properties

Compound Name2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
PubChem CID121473061
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
SMILESCOc1cc(OCC2CO2)c2ccccc2c1O
InChIInChI=1S/C14H14O4/c1-16-13-6-12(18-8-9-7-17-9)10-4-2-3-5-11(10)14(13)15/h2-6,9,15H,7-8H2,1H3
InChIKeyAJPQKBGGJXPXEM-UHFFFAOYSA-N
XLogP2.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxynaphthalen-1-ol
CID 12563547
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 10970901
trimethoxy-[2-(oxiran-2-ylmethoxy)phenyl]silane
CID 19099157
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
4-methoxy-2-(morpholin-2-ylmethyl)naphthalen-1-ol
CID 70584076
2-[[2,5-bis(oxiran-2-ylmethoxy)-4-phenylphenoxy]methyl]oxirane
CID 129094050
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol?
The IUPAC name of 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol (CID 121473061) is 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol.
What is the SMILES notation for 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol?
The canonical SMILES for 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol is COc1cc(OCC2CO2)c2ccccc2c1O.
What is the InChIKey of 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol?
The InChIKey is AJPQKBGGJXPXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-16-13-6-12(18-8-9-7-17-9)10-4-2-3-5-11(10)14(13)15/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol?
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol has a molecular weight of 246.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol is sourced from PubChem (CID 121473061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).