1H-indole;2-naphthalen-1-ylacetic acid

C20H17NO2 — CID 164968711

IUPAC1H-indole;2-naphthalen-1-ylacetic acid
SMILESO=C(O)Cc1cccc2ccccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H10O2.C8H7N/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2-4-8-7(3-1)5-6-9-8/h1-7H,8H2,(H,13,14);1-6,9H
InChIKeyCVDCNHHDZSDLKJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.63
Rot. Bonds2

About 1H-indole;2-naphthalen-1-ylacetic acid

1H-indole;2-naphthalen-1-ylacetic acid (PubChem CID 164968711) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1H-indole;2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name1H-indole;2-naphthalen-1-ylacetic acid
PubChem CID164968711
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name1H-indole;2-naphthalen-1-ylacetic acid
SMILESO=C(O)Cc1cccc2ccccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H10O2.C8H7N/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2-4-8-7(3-1)5-6-9-8/h1-7H,8H2,(H,13,14);1-6,9H
InChIKeyCVDCNHHDZSDLKJ-UHFFFAOYSA-N
XLogP4.63
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1H-indole;2-naphthalen-1-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-aminoacetic acid;1H-indole
CID 118109552
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
carbamic acid;1H-indole
CID 66672708
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
acetic acid;bis(1H-indole)
CID 162014067
acetic acid;1H-indole
CID 67663544
butanoic acid;1H-indole;propanoic acid
CID 135353070
bis(1H-indole);methanol
CID 70305490
1H-indole;oxozinc
CID 174920230
1H-indole;dihydrochloride
CID 18796541
calcium;1H-indole;bis(3-(1H-indol-3-yl)propanoate);bis(3-(1H-indol-3-yl)propanoic acid)
CID 159793509

Frequently Asked Questions

What is the IUPAC name of 1H-indole;2-naphthalen-1-ylacetic acid?
The IUPAC name of 1H-indole;2-naphthalen-1-ylacetic acid (CID 164968711) is 1H-indole;2-naphthalen-1-ylacetic acid.
What is the SMILES notation for 1H-indole;2-naphthalen-1-ylacetic acid?
The canonical SMILES for 1H-indole;2-naphthalen-1-ylacetic acid is O=C(O)Cc1cccc2ccccc12.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;2-naphthalen-1-ylacetic acid?
The InChIKey is CVDCNHHDZSDLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C8H7N/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2-4-8-7(3-1)5-6-9-8/h1-7H,8H2,(H,13,14);1-6,9H.
What are the key properties of 1H-indole;2-naphthalen-1-ylacetic acid?
1H-indole;2-naphthalen-1-ylacetic acid has a molecular weight of 303.36 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 164968711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).