naphthalene;2-phenoxyacetic acid

C18H16O3 — CID 175275275

IUPACnaphthalene;2-phenoxyacetic acid
SMILESO=C(O)COc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H8O3/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-11-7-4-2-1-3-5-7/h1-8H;1-5H,6H2,(H,9,10)
InChIKeyJCXIUQJZADKOLK-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.99
Rot. Bonds3

About naphthalene;2-phenoxyacetic acid

naphthalene;2-phenoxyacetic acid (PubChem CID 175275275) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is naphthalene;2-phenoxyacetic acid.

Molecular Properties

Compound Namenaphthalene;2-phenoxyacetic acid
PubChem CID175275275
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Namenaphthalene;2-phenoxyacetic acid
SMILESO=C(O)COc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H8O3/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-11-7-4-2-1-3-5-7/h1-8H;1-5H,6H2,(H,9,10)
InChIKeyJCXIUQJZADKOLK-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
chloromethane;2-phenoxyacetic acid
CID 157255542
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
2-phenoxyacetic acid;piperazine
CID 54610102
2-phenoxyacetic acid;phenyl acetate
CID 160680696
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
CID 175172730
2-oxo-3-phenoxypropanoic acid
CID 18994126
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-(4-phosphanylphenoxy)acetic acid
CID 143227716

Frequently Asked Questions

What is the IUPAC name of naphthalene;2-phenoxyacetic acid?
The IUPAC name of naphthalene;2-phenoxyacetic acid (CID 175275275) is naphthalene;2-phenoxyacetic acid.
What is the SMILES notation for naphthalene;2-phenoxyacetic acid?
The canonical SMILES for naphthalene;2-phenoxyacetic acid is O=C(O)COc1ccccc1.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;2-phenoxyacetic acid?
The InChIKey is JCXIUQJZADKOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H8O3/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-11-7-4-2-1-3-5-7/h1-8H;1-5H,6H2,(H,9,10).
What are the key properties of naphthalene;2-phenoxyacetic acid?
naphthalene;2-phenoxyacetic acid has a molecular weight of 280.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;2-phenoxyacetic acid is sourced from PubChem (CID 175275275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).