3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene

C17H22O7 — CID 174492039

IUPAC3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene
SMILESCOc1ccc(OC)c2c(OC)ccc(OC)c12.O=C(O)CCO
InChIInChI=1S/C14H16O4.C3H6O3/c1-15-9-5-6-11(17-3)14-12(18-4)8-7-10(16-2)13(9)14;4-2-1-3(5)6/h5-8H,1-4H3;4H,1-2H2,(H,5,6)
InChIKeyXULHKGPJDGYZTF-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.33
Rot. Bonds6

About 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene

3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene (PubChem CID 174492039) has the molecular formula C17H22O7 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene.

Molecular Properties

Compound Name3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene
PubChem CID174492039
Molecular FormulaC17H22O7
Molecular Weight338.36 g/mol
Exact Mass338.14
IUPAC Name3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene
SMILESCOc1ccc(OC)c2c(OC)ccc(OC)c12.O=C(O)CCO
InChIInChI=1S/C14H16O4.C3H6O3/c1-15-9-5-6-11(17-3)14-12(18-4)8-7-10(16-2)13(9)14;4-2-1-3(5)6/h5-8H,1-4H3;4H,1-2H2,(H,5,6)
InChIKeyXULHKGPJDGYZTF-UHFFFAOYSA-N
XLogP2.33
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,4,5,8-tetramethoxynaphthalene
CID 10220551
butane;3-hydroxypropanoic acid
CID 87992662
3-(7-chloro-4-methoxy-1H-indol-3-yl)propanoic acid
CID 82499552
3-(3,6-dimethoxy-2-methylsulfanylphenyl)propanoic acid
CID 117394374
3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid
CID 117325049
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid
CID 117325047
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
4-(2-methoxy-4,5-dimethylphenyl)-4-oxobutanoic acid
CID 82049173
3-bis(2,4-dimethoxybenzoyl)phosphanylpropanoic acid
CID 175364202
3-(5-methoxy-2-methylquinolin-4-yl)propanoic acid
CID 82577999
3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84810610

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene?
The IUPAC name of 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene (CID 174492039) is 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene.
What is the SMILES notation for 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene?
The canonical SMILES for 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene is COc1ccc(OC)c2c(OC)ccc(OC)c12.O=C(O)CCO.
What is the InChIKey of 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene?
The InChIKey is XULHKGPJDGYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4.C3H6O3/c1-15-9-5-6-11(17-3)14-12(18-4)8-7-10(16-2)13(9)14;4-2-1-3(5)6/h5-8H,1-4H3;4H,1-2H2,(H,5,6).
What are the key properties of 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene?
3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene has a molecular weight of 338.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropanoic acid;1,4,5,8-tetramethoxynaphthalene is sourced from PubChem (CID 174492039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).