(6-methylpyren-1-yl)methanol

C18H14O — CID 91603096

IUPAC(6-methylpyren-1-yl)methanol
SMILESCc1ccc2ccc3c(CO)ccc4ccc1c2c43
InChIInChI=1S/C18H14O/c1-11-2-3-12-7-9-16-14(10-19)5-4-13-6-8-15(11)17(12)18(13)16/h2-9,19H,10H2,1H3
InChIKeyRCTJXCDWKIVNEK-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.38
Rot. Bonds1

About (6-methylpyren-1-yl)methanol

(6-methylpyren-1-yl)methanol (PubChem CID 91603096) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is (6-methylpyren-1-yl)methanol.

Molecular Properties

Compound Name(6-methylpyren-1-yl)methanol
PubChem CID91603096
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name(6-methylpyren-1-yl)methanol
SMILESCc1ccc2ccc3c(CO)ccc4ccc1c2c43
InChIInChI=1S/C18H14O/c1-11-2-3-12-7-9-16-14(10-19)5-4-13-6-8-15(11)17(12)18(13)16/h2-9,19H,10H2,1H3
InChIKeyRCTJXCDWKIVNEK-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.38
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 (6-methylpyren-1-yl)methanol?
The IUPAC name of (6-methylpyren-1-yl)methanol (CID 91603096) is (6-methylpyren-1-yl)methanol.
What is the SMILES notation for (6-methylpyren-1-yl)methanol?
The canonical SMILES for (6-methylpyren-1-yl)methanol is Cc1ccc2ccc3c(CO)ccc4ccc1c2c43.
What is the InChIKey of (6-methylpyren-1-yl)methanol?
The InChIKey is RCTJXCDWKIVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-11-2-3-12-7-9-16-14(10-19)5-4-13-6-8-15(11)17(12)18(13)16/h2-9,19H,10H2,1H3.
What are the key properties of (6-methylpyren-1-yl)methanol?
(6-methylpyren-1-yl)methanol has a molecular weight of 246.31 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyren-1-yl)methanol is sourced from PubChem (CID 91603096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).