[3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol

C19H20O2 — CID 67674327

IUPAC[3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol
SMILESCC1C=C(CO)C(/C=C/c2cccc3ccccc23)OC1
InChIInChI=1S/C19H20O2/c1-14-11-17(12-20)19(21-13-14)10-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,14,19-20H,12-13H2,1H3/b10-9+
InChIKeySGFPVJLSPPBUOY-MDZDMXLPSA-N
MW280.37 g/mol
LogP3.81
Rot. Bonds3

About [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol

[3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol (PubChem CID 67674327) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol.

Molecular Properties

Compound Name[3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol
PubChem CID67674327
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name[3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol
SMILESCC1C=C(CO)C(/C=C/c2cccc3ccccc23)OC1
InChIInChI=1S/C19H20O2/c1-14-11-17(12-20)19(21-13-14)10-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,14,19-20H,12-13H2,1H3/b10-9+
InChIKeySGFPVJLSPPBUOY-MDZDMXLPSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol?
The IUPAC name of [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol (CID 67674327) is [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol.
What is the SMILES notation for [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol?
The canonical SMILES for [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol is CC1C=C(CO)C(/C=C/c2cccc3ccccc23)OC1.
What is the InChIKey of [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol?
The InChIKey is SGFPVJLSPPBUOY-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20O2/c1-14-11-17(12-20)19(21-13-14)10-9-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,14,19-20H,12-13H2,1H3/b10-9+.
What are the key properties of [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol?
[3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-[(E)-2-naphthalen-1-ylethenyl]-3,6-dihydro-2H-pyran-5-yl]methanol is sourced from PubChem (CID 67674327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).