[10-(methyliminomethyl)anthracen-9-yl]methanol

C17H15NO — CID 22662200

IUPAC[10-(methyliminomethyl)anthracen-9-yl]methanol
SMILESC/N=C/c1c2ccccc2c(CO)c2ccccc12
InChIInChI=1S/C17H15NO/c1-18-10-16-12-6-2-4-8-14(12)17(11-19)15-9-5-3-7-13(15)16/h2-10,19H,11H2,1H3/b18-10+
InChIKeyLOWZVDWXPGIHCR-VCHYOVAHSA-N
MW249.31 g/mol
LogP3.53
Rot. Bonds2

About [10-(methyliminomethyl)anthracen-9-yl]methanol

[10-(methyliminomethyl)anthracen-9-yl]methanol (PubChem CID 22662200) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is [10-(methyliminomethyl)anthracen-9-yl]methanol.

Molecular Properties

Compound Name[10-(methyliminomethyl)anthracen-9-yl]methanol
PubChem CID22662200
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name[10-(methyliminomethyl)anthracen-9-yl]methanol
SMILESC/N=C/c1c2ccccc2c(CO)c2ccccc12
InChIInChI=1S/C17H15NO/c1-18-10-16-12-6-2-4-8-14(12)17(11-19)15-9-5-3-7-13(15)16/h2-10,19H,11H2,1H3/b18-10+
InChIKeyLOWZVDWXPGIHCR-VCHYOVAHSA-N
XLogP3.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [10-(methyliminomethyl)anthracen-9-yl]methanol?
The IUPAC name of [10-(methyliminomethyl)anthracen-9-yl]methanol (CID 22662200) is [10-(methyliminomethyl)anthracen-9-yl]methanol.
What is the SMILES notation for [10-(methyliminomethyl)anthracen-9-yl]methanol?
The canonical SMILES for [10-(methyliminomethyl)anthracen-9-yl]methanol is C/N=C/c1c2ccccc2c(CO)c2ccccc12.
What is the InChIKey of [10-(methyliminomethyl)anthracen-9-yl]methanol?
The InChIKey is LOWZVDWXPGIHCR-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15NO/c1-18-10-16-12-6-2-4-8-14(12)17(11-19)15-9-5-3-7-13(15)16/h2-10,19H,11H2,1H3/b18-10+.
What are the key properties of [10-(methyliminomethyl)anthracen-9-yl]methanol?
[10-(methyliminomethyl)anthracen-9-yl]methanol has a molecular weight of 249.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(methyliminomethyl)anthracen-9-yl]methanol is sourced from PubChem (CID 22662200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).