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

C13H16O3 — CID 115420224

IUPAC2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
SMILESCC1CCC(O)(CC(=O)O)c2ccccc21
InChIInChI=1S/C13H16O3/c1-9-6-7-13(16,8-12(14)15)11-5-3-2-4-10(9)11/h2-5,9,16H,6-8H2,1H3,(H,14,15)
InChIKeyARUDAAOOKWFYCW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.25
Rot. Bonds2

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

2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid (PubChem CID 115420224) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
PubChem CID115420224
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
SMILESCC1CCC(O)(CC(=O)O)c2ccccc21
InChIInChI=1S/C13H16O3/c1-9-6-7-13(16,8-12(14)15)11-5-3-2-4-10(9)11/h2-5,9,16H,6-8H2,1H3,(H,14,15)
InChIKeyARUDAAOOKWFYCW-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
1-[(2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419563
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 82870214
1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419671
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985
(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 143660147
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419578
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The IUPAC name of 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid (CID 115420224) is 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid is CC1CCC(O)(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
The InChIKey is ARUDAAOOKWFYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-6-7-13(16,8-12(14)15)11-5-3-2-4-10(9)11/h2-5,9,16H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid?
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid is sourced from PubChem (CID 115420224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).