naphthalene;2-phenylacetic acid

C18H16O2 — CID 174965541

IUPACnaphthalene;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H8O2/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-7-4-2-1-3-5-7/h1-8H;1-5H,6H2,(H,9,10)
InChIKeyWRUDZHSLUDCKMI-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.15
Rot. Bonds2

About naphthalene;2-phenylacetic acid

naphthalene;2-phenylacetic acid (PubChem CID 174965541) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is naphthalene;2-phenylacetic acid.

Molecular Properties

Compound Namenaphthalene;2-phenylacetic acid
PubChem CID174965541
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Namenaphthalene;2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C8H8O2/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-7-4-2-1-3-5-7/h1-8H;1-5H,6H2,(H,9,10)
InChIKeyWRUDZHSLUDCKMI-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
ethane;methane;naphthalene;2-phenylacetic acid;propanoic acid
CID 159098387
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
2-phenylacetic acid;propanedioic acid
CID 159349511
chloro hypochlorite;2-phenylacetic acid
CID 174297587
CID 173442082
CID 173442082
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
3-oxobutanoic acid;2-phenylacetic acid
CID 91330939

Frequently Asked Questions

What is the IUPAC name of naphthalene;2-phenylacetic acid?
The IUPAC name of naphthalene;2-phenylacetic acid (CID 174965541) is naphthalene;2-phenylacetic acid.
What is the SMILES notation for naphthalene;2-phenylacetic acid?
The canonical SMILES for naphthalene;2-phenylacetic acid is O=C(O)Cc1ccccc1.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;2-phenylacetic acid?
The InChIKey is WRUDZHSLUDCKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H8O2/c1-2-6-10-8-4-3-7-9(10)5-1;9-8(10)6-7-4-2-1-3-5-7/h1-8H;1-5H,6H2,(H,9,10).
What are the key properties of naphthalene;2-phenylacetic acid?
naphthalene;2-phenylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;2-phenylacetic acid is sourced from PubChem (CID 174965541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).