2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate

C18H20O5 — CID 119040609

IUPAC2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCCOC1CCCCO1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H20O5/c19-16-12-14-6-2-1-5-13(14)11-15(16)18(20)23-10-9-22-17-7-3-4-8-21-17/h1-2,5-6,11-12,17,19H,3-4,7-10H2
InChIKeyYZNCDSBBRDLNSS-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.25
Rot. Bonds5

About 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate

2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate (PubChem CID 119040609) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate
PubChem CID119040609
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCCOC1CCCCO1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H20O5/c19-16-12-14-6-2-1-5-13(14)11-15(16)18(20)23-10-9-22-17-7-3-4-8-21-17/h1-2,5-6,11-12,17,19H,3-4,7-10H2
InChIKeyYZNCDSBBRDLNSS-UHFFFAOYSA-N
XLogP3.25
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(oxan-2-yloxy)octyl benzoate
CID 11551737
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate
CID 19959611
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
2-(2-phenoxyethoxy)oxane
CID 11736193
1-naphthalen-2-yl-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
CID 140553282
3-[4-(oxan-2-yloxy)butyl]-1,2,3,4-tetrahydroanthracen-2-ol
CID 11089544
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate (CID 119040609) is 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate is O=C(OCCOC1CCCCO1)c1cc2ccccc2cc1O.
What is the InChIKey of 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is YZNCDSBBRDLNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c19-16-12-14-6-2-1-5-13(14)11-15(16)18(20)23-10-9-22-17-7-3-4-8-21-17/h1-2,5-6,11-12,17,19H,3-4,7-10H2.
What are the key properties of 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate?
2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 316.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)ethyl 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 119040609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).