2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid

C13H16O4 — CID 115511253

IUPAC2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
SMILESCOc1ccc2c(c1)CC(C(O)C(=O)O)CC2
InChIInChI=1S/C13H16O4/c1-17-11-5-4-8-2-3-9(6-10(8)7-11)12(14)13(15)16/h4-5,7,9,12,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyKUJFMEKPWAJVTO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.25
Rot. Bonds3

About 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid

2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid (PubChem CID 115511253) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
PubChem CID115511253
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
SMILESCOc1ccc2c(c1)CC(C(O)C(=O)O)CC2
InChIInChI=1S/C13H16O4/c1-17-11-5-4-8-2-3-9(6-10(8)7-11)12(14)13(15)16/h4-5,7,9,12,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyKUJFMEKPWAJVTO-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid (CID 115511253) is 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid is COc1ccc2c(c1)CC(C(O)C(=O)O)CC2.
What is the InChIKey of 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid?
The InChIKey is KUJFMEKPWAJVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-17-11-5-4-8-2-3-9(6-10(8)7-11)12(14)13(15)16/h4-5,7,9,12,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid?
2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 115511253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).