[2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate

C19H22O6 — CID 57485094

IUPAC[2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCC(=O)OCCCO)ccc2c1
InChIInChI=1S/C19H22O6/c1-13(19(22)25-12-18(21)24-9-3-8-20)14-4-5-16-11-17(23-2)7-6-15(16)10-14/h4-7,10-11,13,20H,3,8-9,12H2,1-2H3
InChIKeyNDHKSNMJSAPXMJ-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.42
Rot. Bonds8

About [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate

[2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 57485094) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID57485094
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name[2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCC(=O)OCCCO)ccc2c1
InChIInChI=1S/C19H22O6/c1-13(19(22)25-12-18(21)24-9-3-8-20)14-4-5-16-11-17(23-2)7-6-15(16)10-14/h4-7,10-11,13,20H,3,8-9,12H2,1-2H3
InChIKeyNDHKSNMJSAPXMJ-UHFFFAOYSA-N
XLogP2.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
2-(2-hydroxyethyldisulfanyl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 87404087
2-(2-hydroxyethylsulfanyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 21075929
3-methylsulfonyloxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 89099658
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952106
3-selenocyanatopropyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 164622703
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate (CID 57485094) is [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)C(=O)OCC(=O)OCCCO)ccc2c1.
What is the InChIKey of [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is NDHKSNMJSAPXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-13(19(22)25-12-18(21)24-9-3-8-20)14-4-5-16-11-17(23-2)7-6-15(16)10-14/h4-7,10-11,13,20H,3,8-9,12H2,1-2H3.
What are the key properties of [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
[2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 346.38 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropoxy)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 57485094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).