[4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol

C19H17NO — CID 122629914

IUPAC[4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol
SMILESC/N=C(\c1ccc(CO)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H17NO/c1-20-19(16-11-9-14(13-21)10-12-16)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,21H,13H2,1H3/b20-19+
InChIKeyFDEXBSYMWHRTCB-FMQUCBEESA-N
MW275.35 g/mol
LogP3.80
Rot. Bonds3

About [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol

[4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol (PubChem CID 122629914) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol
PubChem CID122629914
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name[4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol
SMILESC/N=C(\c1ccc(CO)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H17NO/c1-20-19(16-11-9-14(13-21)10-12-16)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,21H,13H2,1H3/b20-19+
InChIKeyFDEXBSYMWHRTCB-FMQUCBEESA-N
XLogP3.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.80
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 [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol?
The IUPAC name of [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol (CID 122629914) is [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol.
What is the SMILES notation for [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol?
The canonical SMILES for [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol is C/N=C(\c1ccc(CO)cc1)c1cccc2ccccc12.
What is the InChIKey of [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol?
The InChIKey is FDEXBSYMWHRTCB-FMQUCBEESA-N. The full InChI is InChI=1S/C19H17NO/c1-20-19(16-11-9-14(13-21)10-12-16)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,21H,13H2,1H3/b20-19+.
What are the key properties of [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol?
[4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol has a molecular weight of 275.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol is sourced from PubChem (CID 122629914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).