(3-ethenylpyren-1-yl)methanol

C19H14O — CID 154309037

IUPAC(3-ethenylpyren-1-yl)methanol
SMILESC=Cc1cc(CO)c2ccc3cccc4ccc1c2c43
InChIInChI=1S/C19H14O/c1-2-12-10-15(11-20)17-9-7-14-5-3-4-13-6-8-16(12)19(17)18(13)14/h2-10,20H,1,11H2
InChIKeyLEOQUPNSGZEFEG-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.72
Rot. Bonds2

About (3-ethenylpyren-1-yl)methanol

(3-ethenylpyren-1-yl)methanol (PubChem CID 154309037) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-ethenylpyren-1-yl)methanol.

Molecular Properties

Compound Name(3-ethenylpyren-1-yl)methanol
PubChem CID154309037
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name(3-ethenylpyren-1-yl)methanol
SMILESC=Cc1cc(CO)c2ccc3cccc4ccc1c2c43
InChIInChI=1S/C19H14O/c1-2-12-10-15(11-20)17-9-7-14-5-3-4-13-6-8-16(12)19(17)18(13)14/h2-10,20H,1,11H2
InChIKeyLEOQUPNSGZEFEG-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethenylpyren-1-yl)methanol?
The IUPAC name of (3-ethenylpyren-1-yl)methanol (CID 154309037) is (3-ethenylpyren-1-yl)methanol.
What is the SMILES notation for (3-ethenylpyren-1-yl)methanol?
The canonical SMILES for (3-ethenylpyren-1-yl)methanol is C=Cc1cc(CO)c2ccc3cccc4ccc1c2c43.
What is the InChIKey of (3-ethenylpyren-1-yl)methanol?
The InChIKey is LEOQUPNSGZEFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-2-12-10-15(11-20)17-9-7-14-5-3-4-13-6-8-16(12)19(17)18(13)14/h2-10,20H,1,11H2.
What are the key properties of (3-ethenylpyren-1-yl)methanol?
(3-ethenylpyren-1-yl)methanol has a molecular weight of 258.32 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylpyren-1-yl)methanol is sourced from PubChem (CID 154309037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).