2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid

C15H16O4 — CID 81431719

IUPAC2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid
SMILESCc1ccc2ccccc2c1C(O)COCC(=O)O
InChIInChI=1S/C15H16O4/c1-10-6-7-11-4-2-3-5-12(11)15(10)13(16)8-19-9-14(17)18/h2-7,13,16H,8-9H2,1H3,(H,17,18)
InChIKeyDLGXYQKUKQMPBZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid

2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid (PubChem CID 81431719) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid
PubChem CID81431719
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid
SMILESCc1ccc2ccccc2c1C(O)COCC(=O)O
InChIInChI=1S/C15H16O4/c1-10-6-7-11-4-2-3-5-12(11)15(10)13(16)8-19-9-14(17)18/h2-7,13,16H,8-9H2,1H3,(H,17,18)
InChIKeyDLGXYQKUKQMPBZ-UHFFFAOYSA-N
XLogP2.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 80502673
2,2,3,3,3-pentafluoro-1-(2-methylnaphthalen-1-yl)propan-1-ol
CID 81431477
2-ethoxy-1-(2-methoxynaphthalen-1-yl)ethanol
CID 79566432
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)butan-1-ol
CID 81432516
(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
CID 14810052
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
2-(3-chlorophenyl)-1-(2-methylnaphthalen-1-yl)ethanol
CID 81430142
S-[2,3-dihydroxy-3-(2-methylnaphthalen-1-yl)propyl] ethanethioate
CID 170822663
(2-methylnaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol
CID 91655781
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
(S)-(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanol
CID 99714820
(2-methylnaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79020949

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid (CID 81431719) is 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid is Cc1ccc2ccccc2c1C(O)COCC(=O)O.
What is the InChIKey of 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid?
The InChIKey is DLGXYQKUKQMPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10-6-7-11-4-2-3-5-12(11)15(10)13(16)8-19-9-14(17)18/h2-7,13,16H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid?
2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(2-methylnaphthalen-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 81431719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).