[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol

C18H16Cl2O3 — CID 16758943

IUPAC[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESOCC1OC(c2ccccc2)C=CC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2O3/c19-13-8-14(20)10-15(9-13)22-17-7-6-16(23-18(17)11-21)12-4-2-1-3-5-12/h1-10,16-18,21H,11H2
InChIKeyULBNKSMBQPHNIA-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.43
Rot. Bonds4

About [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol

[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 16758943) has the molecular formula C18H16Cl2O3 and a molecular weight of 351.23 g/mol. Its IUPAC name is [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID16758943
Molecular FormulaC18H16Cl2O3
Molecular Weight351.23 g/mol
Exact Mass350.05
IUPAC Name[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESOCC1OC(c2ccccc2)C=CC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2O3/c19-13-8-14(20)10-15(9-13)22-17-7-6-16(23-18(17)11-21)12-4-2-1-3-5-12/h1-10,16-18,21H,11H2
InChIKeyULBNKSMBQPHNIA-UHFFFAOYSA-N
XLogP4.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol (CID 16758943) is [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol is OCC1OC(c2ccccc2)C=CC1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is ULBNKSMBQPHNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O3/c19-13-8-14(20)10-15(9-13)22-17-7-6-16(23-18(17)11-21)12-4-2-1-3-5-12/h1-10,16-18,21H,11H2.
What are the key properties of [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
[3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 351.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dichlorophenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 16758943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).