2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol

C18H14ClNO — CID 135953569

IUPAC2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol
SMILESCc1c(Cl)cccc1/N=C/c1ccc2ccccc2c1O
InChIInChI=1S/C18H14ClNO/c1-12-16(19)7-4-8-17(12)20-11-14-10-9-13-5-2-3-6-15(13)18(14)21/h2-11,21H,1H3/b20-11+
InChIKeyURKWANFNACLGJH-RGVLZGJSSA-N
MW295.77 g/mol
LogP5.26
Rot. Bonds2

About 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol

2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol (PubChem CID 135953569) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol
PubChem CID135953569
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol
SMILESCc1c(Cl)cccc1/N=C/c1ccc2ccccc2c1O
InChIInChI=1S/C18H14ClNO/c1-12-16(19)7-4-8-17(12)20-11-14-10-9-13-5-2-3-6-15(13)18(14)21/h2-11,21H,1H3/b20-11+
InChIKeyURKWANFNACLGJH-RGVLZGJSSA-N
XLogP5.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.26
H-Bond Donors ≤ 51
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-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol (CID 135953569) is 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol is Cc1c(Cl)cccc1/N=C/c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol?
The InChIKey is URKWANFNACLGJH-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-12-16(19)7-4-8-17(12)20-11-14-10-9-13-5-2-3-6-15(13)18(14)21/h2-11,21H,1H3/b20-11+.
What are the key properties of 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol?
2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol has a molecular weight of 295.77 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol is sourced from PubChem (CID 135953569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).