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

C18H15NO — CID 621404

IUPAC1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol
SMILESCc1cccc(/N=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C18H15NO/c1-13-5-4-7-15(11-13)19-12-17-16-8-3-2-6-14(16)9-10-18(17)20/h2-12,20H,1H3/b19-12+
InChIKeyKPOSMMCBBUZMRX-XDHOZWIPSA-N
MW261.32 g/mol
LogP4.60
Rot. Bonds2

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

1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 621404) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID621404
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol
SMILESCc1cccc(/N=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C18H15NO/c1-13-5-4-7-15(11-13)19-12-17-16-8-3-2-6-14(16)9-10-18(17)20/h2-12,20H,1H3/b19-12+
InChIKeyKPOSMMCBBUZMRX-XDHOZWIPSA-N
XLogP4.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.60
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 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol (CID 621404) is 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol is Cc1cccc(/N=C/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is KPOSMMCBBUZMRX-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15NO/c1-13-5-4-7-15(11-13)19-12-17-16-8-3-2-6-14(16)9-10-18(17)20/h2-12,20H,1H3/b19-12+.
What are the key properties of 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol?
1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 261.32 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 621404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).