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

C12H14O3 — CID 68629787

IUPAC2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2ccc(O)cc21
InChIInChI=1S/C12H14O3/c13-10-5-4-8-2-1-3-9(6-12(14)15)11(8)7-10/h4-5,7,9,13H,1-3,6H2,(H,14,15)
InChIKeyVFHSMHJWUNOHSI-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.29
Rot. Bonds2

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

2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 68629787) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID68629787
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2ccc(O)cc21
InChIInChI=1S/C12H14O3/c13-10-5-4-8-2-1-3-9(6-12(14)15)11(8)7-10/h4-5,7,9,13H,1-3,6H2,(H,14,15)
InChIKeyVFHSMHJWUNOHSI-UHFFFAOYSA-N
XLogP2.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 68629787) is 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is O=C(O)CC1CCCc2ccc(O)cc21.
What is the InChIKey of 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is VFHSMHJWUNOHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-10-5-4-8-2-1-3-9(6-12(14)15)11(8)7-10/h4-5,7,9,13H,1-3,6H2,(H,14,15).
What are the key properties of 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 68629787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).