acetic acid;2-naphthalen-1-ylacetic acid

C14H14O4 — CID 67744523

IUPACacetic acid;2-naphthalen-1-ylacetic acid
SMILESCC(=O)O.O=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2.C2H4O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2(3)4/h1-7H,8H2,(H,13,14);1H3,(H,3,4)
InChIKeyOZXTVOIUUZLNCG-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.56
Rot. Bonds2

About acetic acid;2-naphthalen-1-ylacetic acid

acetic acid;2-naphthalen-1-ylacetic acid (PubChem CID 67744523) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is acetic acid;2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Nameacetic acid;2-naphthalen-1-ylacetic acid
PubChem CID67744523
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Nameacetic acid;2-naphthalen-1-ylacetic acid
SMILESCC(=O)O.O=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2.C2H4O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2(3)4/h1-7H,8H2,(H,13,14);1H3,(H,3,4)
InChIKeyOZXTVOIUUZLNCG-UHFFFAOYSA-N
XLogP2.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride
CID 175051749
dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)
CID 139066806
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
1-naphthalen-1-ylbutan-2-one
CID 4564544
(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
CID 102021850
1H-indole;2-naphthalen-1-ylacetic acid
CID 164968711
5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid
CID 175124384

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-naphthalen-1-ylacetic acid?
The IUPAC name of acetic acid;2-naphthalen-1-ylacetic acid (CID 67744523) is acetic acid;2-naphthalen-1-ylacetic acid.
What is the SMILES notation for acetic acid;2-naphthalen-1-ylacetic acid?
The canonical SMILES for acetic acid;2-naphthalen-1-ylacetic acid is CC(=O)O.O=C(O)Cc1cccc2ccccc12.
What is the InChIKey of acetic acid;2-naphthalen-1-ylacetic acid?
The InChIKey is OZXTVOIUUZLNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C2H4O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2(3)4/h1-7H,8H2,(H,13,14);1H3,(H,3,4).
What are the key properties of acetic acid;2-naphthalen-1-ylacetic acid?
acetic acid;2-naphthalen-1-ylacetic acid has a molecular weight of 246.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 67744523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).