1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol

C20H26O5 — CID 167904392

IUPAC1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol
SMILESCCOc1ccc2ccccc2c1OCC(O)COC1CCOCC1
InChIInChI=1S/C20H26O5/c1-2-23-19-8-7-15-5-3-4-6-18(15)20(19)25-14-16(21)13-24-17-9-11-22-12-10-17/h3-8,16-17,21H,2,9-14H2,1H3
InChIKeyPRZDPQZGEIKYAU-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.17
Rot. Bonds8

About 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol

1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol (PubChem CID 167904392) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol
PubChem CID167904392
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol
SMILESCCOc1ccc2ccccc2c1OCC(O)COC1CCOCC1
InChIInChI=1S/C20H26O5/c1-2-23-19-8-7-15-5-3-4-6-18(15)20(19)25-14-16(21)13-24-17-9-11-22-12-10-17/h3-8,16-17,21H,2,9-14H2,1H3
InChIKeyPRZDPQZGEIKYAU-UHFFFAOYSA-N
XLogP3.17
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxy-3-(oxan-4-yloxy)propoxy]naphthalene-1-carbonitrile
CID 167790854
1-(2-bromo-4-fluorophenoxy)-3-(oxan-4-yloxy)propan-2-ol
CID 109414106
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(oxan-4-yloxy)propan-2-ol
CID 124588927
1-(oxan-4-yloxy)-3-(4-pyridin-2-yloxyphenoxy)propan-2-ol
CID 167757306
4-[(1-ethenylnaphthalen-2-yl)oxymethyl]oxane
CID 176513410
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
1,1-diethoxy-3-(oxan-4-yloxy)propan-2-ol
CID 164530106
1-(2-ethoxyphenyl)-2-(oxan-4-ylmethoxy)ethanol
CID 62383597
4-(2,2-diethoxyethoxy)oxane
CID 63627894
1-ethoxy-2-methoxynaphthalene
CID 45093938
cis-(1S,2S)-2-(2-ethoxynaphthalen-1-yl)cyclohexan-1-ol
CID 139705954
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
CID 2058887

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol?
The IUPAC name of 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol (CID 167904392) is 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol is CCOc1ccc2ccccc2c1OCC(O)COC1CCOCC1.
What is the InChIKey of 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol?
The InChIKey is PRZDPQZGEIKYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-2-23-19-8-7-15-5-3-4-6-18(15)20(19)25-14-16(21)13-24-17-9-11-22-12-10-17/h3-8,16-17,21H,2,9-14H2,1H3.
What are the key properties of 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol?
1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol has a molecular weight of 346.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxynaphthalen-1-yl)oxy-3-(oxan-4-yloxy)propan-2-ol is sourced from PubChem (CID 167904392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).