3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid

C14H14O4 — CID 18003437

IUPAC3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(O)c2ccccc12)C(=O)O
InChIInChI=1S/C14H14O4/c1-18-13(14(16)17)8-9-6-7-12(15)11-5-3-2-4-10(9)11/h2-7,13,15H,8H2,1H3,(H,16,17)
InChIKeyUWKVYJLESQIGDC-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.19
Rot. Bonds4

About 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid

3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid (PubChem CID 18003437) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid
PubChem CID18003437
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(O)c2ccccc12)C(=O)O
InChIInChI=1S/C14H14O4/c1-18-13(14(16)17)8-9-6-7-12(15)11-5-3-2-4-10(9)11/h2-7,13,15H,8H2,1H3,(H,16,17)
InChIKeyUWKVYJLESQIGDC-UHFFFAOYSA-N
XLogP2.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-iodophenyl)-2-methoxypropanoic acid
CID 70425557
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
2-methoxy-3-(2-phenylsulfanylphenyl)propanoic acid
CID 133239287
2-chloro-3-(5-hydroxynaphthalen-1-yl)propanoic acid
CID 83969793
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
4-(ethoxymethyl)naphthalen-1-ol
CID 90487839
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
(2S)-3-naphthalen-1-yl-2-propoxypropanoic acid
CID 100531857
2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
CID 133245285
barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
3-bromo-4-(5-hydroxynaphthalen-1-yl)butan-2-one
CID 83969977

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid?
The IUPAC name of 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid (CID 18003437) is 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid?
The canonical SMILES for 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid is COC(Cc1ccc(O)c2ccccc12)C(=O)O.
What is the InChIKey of 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid?
The InChIKey is UWKVYJLESQIGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-18-13(14(16)17)8-9-6-7-12(15)11-5-3-2-4-10(9)11/h2-7,13,15H,8H2,1H3,(H,16,17).
What are the key properties of 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid?
3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid has a molecular weight of 246.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid is sourced from PubChem (CID 18003437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).