1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol

C20H19NO2 — CID 135713314

IUPAC1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
SMILESCCCOc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H19NO2/c1-2-13-23-17-10-8-16(9-11-17)21-14-19-18-6-4-3-5-15(18)7-12-20(19)22/h3-12,14,22H,2,13H2,1H3/b21-14+
InChIKeyVOVPSKYTIAUJBN-KGENOOAVSA-N
MW305.38 g/mol
LogP5.08
Rot. Bonds5

About 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol

1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 135713314) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
PubChem CID135713314
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
SMILESCCCOc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H19NO2/c1-2-13-23-17-10-8-16(9-11-17)21-14-19-18-6-4-3-5-15(18)7-12-20(19)22/h3-12,14,22H,2,13H2,1H3/b21-14+
InChIKeyVOVPSKYTIAUJBN-KGENOOAVSA-N
XLogP5.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 135717106
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
CID 136702067
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-[(4-morpholin-4-ylphenyl)iminomethyl]naphthalen-2-ol
CID 790983
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol (CID 135713314) is 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol is CCCOc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is VOVPSKYTIAUJBN-KGENOOAVSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-13-23-17-10-8-16(9-11-17)21-14-19-18-6-4-3-5-15(18)7-12-20(19)22/h3-12,14,22H,2,13H2,1H3/b21-14+.
What are the key properties of 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol?
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 305.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135713314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).