2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid

C12H14O3 — CID 3834220

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h5-7H,1-4,8H2,(H,13,14)
InChIKeyWCKYBLCGUSVWQI-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.03
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid

2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid (PubChem CID 3834220) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid
PubChem CID3834220
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h5-7H,1-4,8H2,(H,13,14)
InChIKeyWCKYBLCGUSVWQI-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid (CID 3834220) is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid is O=C(O)COc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid?
The InChIKey is WCKYBLCGUSVWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h5-7H,1-4,8H2,(H,13,14).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid?
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid is sourced from PubChem (CID 3834220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).