[9-(methyliminomethyl)anthracen-2-yl]methanol

C17H15NO — CID 57310667

IUPAC[9-(methyliminomethyl)anthracen-2-yl]methanol
SMILESC/N=C/c1c2ccccc2cc2ccc(CO)cc12
InChIInChI=1S/C17H15NO/c1-18-10-17-15-5-3-2-4-13(15)9-14-7-6-12(11-19)8-16(14)17/h2-10,19H,11H2,1H3/b18-10+
InChIKeyZBEJVIUQWPCEID-VCHYOVAHSA-N
MW249.31 g/mol
LogP3.53
Rot. Bonds2

About [9-(methyliminomethyl)anthracen-2-yl]methanol

[9-(methyliminomethyl)anthracen-2-yl]methanol (PubChem CID 57310667) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is [9-(methyliminomethyl)anthracen-2-yl]methanol.

Molecular Properties

Compound Name[9-(methyliminomethyl)anthracen-2-yl]methanol
PubChem CID57310667
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name[9-(methyliminomethyl)anthracen-2-yl]methanol
SMILESC/N=C/c1c2ccccc2cc2ccc(CO)cc12
InChIInChI=1S/C17H15NO/c1-18-10-17-15-5-3-2-4-13(15)9-14-7-6-12(11-19)8-16(14)17/h2-10,19H,11H2,1H3/b18-10+
InChIKeyZBEJVIUQWPCEID-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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Related Compounds

(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
5-(hydroxymethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 59018474
3-(anthracen-9-ylmethylideneamino)propan-1-ol
CID 4598040
4-[2-(anthracen-9-ylmethylideneamino)ethyl]benzene-1,2-diol
CID 122222745
6-(hydroxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 102520249
anthracen-9-ylmethanol;pyren-2-ylmethanol
CID 158001139
N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
CID 21205176
(anthracen-9-ylmethylideneamino)thiourea
CID 668113
1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
CID 13497417
9-(2-methylprop-1-enyl)anthracene
CID 59708728
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
[3-(N-anthracen-9-ylanilino)phenyl]methanol
CID 139983979

Frequently Asked Questions

What is the IUPAC name of [9-(methyliminomethyl)anthracen-2-yl]methanol?
The IUPAC name of [9-(methyliminomethyl)anthracen-2-yl]methanol (CID 57310667) is [9-(methyliminomethyl)anthracen-2-yl]methanol.
What is the SMILES notation for [9-(methyliminomethyl)anthracen-2-yl]methanol?
The canonical SMILES for [9-(methyliminomethyl)anthracen-2-yl]methanol is C/N=C/c1c2ccccc2cc2ccc(CO)cc12.
What is the InChIKey of [9-(methyliminomethyl)anthracen-2-yl]methanol?
The InChIKey is ZBEJVIUQWPCEID-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15NO/c1-18-10-17-15-5-3-2-4-13(15)9-14-7-6-12(11-19)8-16(14)17/h2-10,19H,11H2,1H3/b18-10+.
What are the key properties of [9-(methyliminomethyl)anthracen-2-yl]methanol?
[9-(methyliminomethyl)anthracen-2-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 [9-(methyliminomethyl)anthracen-2-yl]methanol is sourced from PubChem (CID 57310667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).