2-(3-phenylpropanimidoyl)naphthalen-1-ol

C19H17NO — CID 136656988

IUPAC2-(3-phenylpropanimidoyl)naphthalen-1-ol
SMILES[H]/N=C(\CCc1ccccc1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H17NO/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19(17)21/h1-9,11-12,20-21H,10,13H2/b20-18+
InChIKeyTTZJAGLOIKRYTF-CZIZESTLSA-N
MW275.35 g/mol
LogP4.55
Rot. Bonds4

About 2-(3-phenylpropanimidoyl)naphthalen-1-ol

2-(3-phenylpropanimidoyl)naphthalen-1-ol (PubChem CID 136656988) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-phenylpropanimidoyl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(3-phenylpropanimidoyl)naphthalen-1-ol
PubChem CID136656988
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-(3-phenylpropanimidoyl)naphthalen-1-ol
SMILES[H]/N=C(\CCc1ccccc1)c1ccc2ccccc2c1O
InChIInChI=1S/C19H17NO/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19(17)21/h1-9,11-12,20-21H,10,13H2/b20-18+
InChIKeyTTZJAGLOIKRYTF-CZIZESTLSA-N
XLogP4.55
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropanimidoyl)naphthalen-1-ol?
The IUPAC name of 2-(3-phenylpropanimidoyl)naphthalen-1-ol (CID 136656988) is 2-(3-phenylpropanimidoyl)naphthalen-1-ol.
What is the SMILES notation for 2-(3-phenylpropanimidoyl)naphthalen-1-ol?
The canonical SMILES for 2-(3-phenylpropanimidoyl)naphthalen-1-ol is [H]/N=C(\CCc1ccccc1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-(3-phenylpropanimidoyl)naphthalen-1-ol?
The InChIKey is TTZJAGLOIKRYTF-CZIZESTLSA-N. The full InChI is InChI=1S/C19H17NO/c20-18(13-10-14-6-2-1-3-7-14)17-12-11-15-8-4-5-9-16(15)19(17)21/h1-9,11-12,20-21H,10,13H2/b20-18+.
What are the key properties of 2-(3-phenylpropanimidoyl)naphthalen-1-ol?
2-(3-phenylpropanimidoyl)naphthalen-1-ol has a molecular weight of 275.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropanimidoyl)naphthalen-1-ol is sourced from PubChem (CID 136656988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).