anthracen-2-ylmethanol

C15H12O — CID 1201478

IUPACanthracen-2-ylmethanol
SMILESOCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H12O/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9,16H,10H2
InChIKeyZMUUBYLNJMTHBS-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.49
Rot. Bonds1

About anthracen-2-ylmethanol

anthracen-2-ylmethanol (PubChem CID 1201478) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is anthracen-2-ylmethanol.

Molecular Properties

Compound Nameanthracen-2-ylmethanol
PubChem CID1201478
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Nameanthracen-2-ylmethanol
SMILESOCc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H12O/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9,16H,10H2
InChIKeyZMUUBYLNJMTHBS-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
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-2-ylmethanol?
The IUPAC name of anthracen-2-ylmethanol (CID 1201478) is anthracen-2-ylmethanol.
What is the SMILES notation for anthracen-2-ylmethanol?
The canonical SMILES for anthracen-2-ylmethanol is OCc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracen-2-ylmethanol?
The InChIKey is ZMUUBYLNJMTHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9,16H,10H2.
What are the key properties of anthracen-2-ylmethanol?
anthracen-2-ylmethanol has a molecular weight of 208.26 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-2-ylmethanol is sourced from PubChem (CID 1201478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).