[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone

C24H17NO2 — CID 135793990

IUPAC[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C24H17NO2/c26-23-15-14-17-8-4-5-11-19(17)21(23)16-25-22-13-7-6-12-20(22)24(27)18-9-2-1-3-10-18/h1-16,26H/b25-16+
InChIKeySKOYARAYCWXPSN-PCLIKHOPSA-N
MW351.41 g/mol
LogP5.53
Rot. Bonds4

About [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone

[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 135793990) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
PubChem CID135793990
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC Name[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C24H17NO2/c26-23-15-14-17-8-4-5-11-19(17)21(23)16-25-22-13-7-6-12-20(22)24(27)18-9-2-1-3-10-18/h1-16,26H/b25-16+
InChIKeySKOYARAYCWXPSN-PCLIKHOPSA-N
XLogP5.53
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone (CID 135793990) is [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is SKOYARAYCWXPSN-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H17NO2/c26-23-15-14-17-8-4-5-11-19(17)21(23)16-25-22-13-7-6-12-20(22)24(27)18-9-2-1-3-10-18/h1-16,26H/b25-16+.
What are the key properties of [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone?
[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 351.41 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 135793990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).