2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid

C13H16O4 — CID 117344707

IUPAC2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
SMILESCOc1ccc(C(O)C(=O)O)c2c1CCCC2
InChIInChI=1S/C13H16O4/c1-17-11-7-6-10(12(14)13(15)16)8-4-2-3-5-9(8)11/h6-7,12,14H,2-5H2,1H3,(H,15,16)
InChIKeyIHUNLUVNVNGLCC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.69
Rot. Bonds3

About 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid

2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 117344707) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID117344707
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
SMILESCOc1ccc(C(O)C(=O)O)c2c1CCCC2
InChIInChI=1S/C13H16O4/c1-17-11-7-6-10(12(14)13(15)16)8-4-2-3-5-9(8)11/h6-7,12,14H,2-5H2,1H3,(H,15,16)
InChIKeyIHUNLUVNVNGLCC-UHFFFAOYSA-N
XLogP1.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
CID 117412985
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 117328303
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428843
2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-ol
CID 84685964
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117415319
2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetic acid
CID 117321607
2-[5-(2-chloropropanoyl)-2-methoxyphenyl]-2-hydroxyacetic acid
CID 135740936
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
3-amino-1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 117338427

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid (CID 117344707) is 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid is COc1ccc(C(O)C(=O)O)c2c1CCCC2.
What is the InChIKey of 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is IHUNLUVNVNGLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-17-11-7-6-10(12(14)13(15)16)8-4-2-3-5-9(8)11/h6-7,12,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid?
2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 117344707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).