2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde

C22H17NO3 — CID 123634709

IUPAC2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde
SMILESC=C/C(=C\CN=O)c1cccc2cccc(-c3ccc(O)c(C=O)c3)c12
InChIInChI=1S/C22H17NO3/c1-2-15(11-12-23-26)19-7-3-5-16-6-4-8-20(22(16)19)17-9-10-21(25)18(13-17)14-24/h2-11,13-14,25H,1,12H2/b15-11+
InChIKeyAWSTWYMUTMBTNO-RVDMUPIBSA-N
MW343.38 g/mol
LogP5.36
Rot. Bonds6

About 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde

2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde (PubChem CID 123634709) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde
PubChem CID123634709
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde
SMILESC=C/C(=C\CN=O)c1cccc2cccc(-c3ccc(O)c(C=O)c3)c12
InChIInChI=1S/C22H17NO3/c1-2-15(11-12-23-26)19-7-3-5-16-6-4-8-20(22(16)19)17-9-10-21(25)18(13-17)14-24/h2-11,13-14,25H,1,12H2/b15-11+
InChIKeyAWSTWYMUTMBTNO-RVDMUPIBSA-N
XLogP5.36
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde 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

5-[8-[(E)-4-formyl-5-oxohex-2-en-2-yl]naphthalen-1-yl]-2-hydroxybenzaldehyde
CID 123975131
2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde
CID 90429884
5-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-1,3-dioxobenzo[de]isoquinolin-6-yl]-2-hydroxybenzaldehyde
CID 171392065
2-(3-formyl-4-hydroxyphenyl)benzonitrile
CID 23005123
5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220383
5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde
CID 122358686
5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde
CID 139091874
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389
5-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220551
5-(1-benzothiophen-3-yl)-2-hydroxybenzaldehyde
CID 59599865
5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde
CID 59784616
2-bromo-6-phenylnaphthalene;2-hydroxy-5-phenylbenzaldehyde
CID 159798770

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde?
The IUPAC name of 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde (CID 123634709) is 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde?
The canonical SMILES for 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde is C=C/C(=C\CN=O)c1cccc2cccc(-c3ccc(O)c(C=O)c3)c12.
What is the InChIKey of 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde?
The InChIKey is AWSTWYMUTMBTNO-RVDMUPIBSA-N. The full InChI is InChI=1S/C22H17NO3/c1-2-15(11-12-23-26)19-7-3-5-16-6-4-8-20(22(16)19)17-9-10-21(25)18(13-17)14-24/h2-11,13-14,25H,1,12H2/b15-11+.
What are the key properties of 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde?
2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde has a molecular weight of 343.38 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[8-[(3E)-5-nitrosopenta-1,3-dien-3-yl]naphthalen-1-yl]benzaldehyde is sourced from PubChem (CID 123634709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).