2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid

C13H16O3 — CID 68638275

IUPAC2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
SMILESCC1(CC(=O)O)CCCc2ccc(O)cc21
InChIInChI=1S/C13H16O3/c1-13(8-12(15)16)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyTWHLSROAKZBKMX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.46
Rot. Bonds2

About 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid

2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid (PubChem CID 68638275) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
PubChem CID68638275
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
SMILESCC1(CC(=O)O)CCCc2ccc(O)cc21
InChIInChI=1S/C13H16O3/c1-13(8-12(15)16)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyTWHLSROAKZBKMX-UHFFFAOYSA-N
XLogP2.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.46
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-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid (CID 68638275) is 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid is CC1(CC(=O)O)CCCc2ccc(O)cc21.
What is the InChIKey of 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The InChIKey is TWHLSROAKZBKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(8-12(15)16)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
2-(7-hydroxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.46, 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-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid is sourced from PubChem (CID 68638275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).