anthracen-9-yl(1H-pyrrol-2-yl)methanol

C19H15NO — CID 155902989

IUPACanthracen-9-yl(1H-pyrrol-2-yl)methanol
SMILESOC(c1ccc[nH]1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H15NO/c21-19(17-10-5-11-20-17)18-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)18/h1-12,19-21H
InChIKeyKTHVXCPKLIUOHM-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.40
Rot. Bonds2

About anthracen-9-yl(1H-pyrrol-2-yl)methanol

anthracen-9-yl(1H-pyrrol-2-yl)methanol (PubChem CID 155902989) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is anthracen-9-yl(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Nameanthracen-9-yl(1H-pyrrol-2-yl)methanol
PubChem CID155902989
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Nameanthracen-9-yl(1H-pyrrol-2-yl)methanol
SMILESOC(c1ccc[nH]1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H15NO/c21-19(17-10-5-11-20-17)18-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)18/h1-12,19-21H
InChIKeyKTHVXCPKLIUOHM-UHFFFAOYSA-N
XLogP4.40
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl(1H-pyrrol-2-yl)methanol?
The IUPAC name of anthracen-9-yl(1H-pyrrol-2-yl)methanol (CID 155902989) is anthracen-9-yl(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for anthracen-9-yl(1H-pyrrol-2-yl)methanol?
The canonical SMILES for anthracen-9-yl(1H-pyrrol-2-yl)methanol is OC(c1ccc[nH]1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-yl(1H-pyrrol-2-yl)methanol?
The InChIKey is KTHVXCPKLIUOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c21-19(17-10-5-11-20-17)18-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)18/h1-12,19-21H.
What are the key properties of anthracen-9-yl(1H-pyrrol-2-yl)methanol?
anthracen-9-yl(1H-pyrrol-2-yl)methanol has a molecular weight of 273.34 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 155902989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).