2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol

C17H16Cl2O2 — CID 15501037

IUPAC2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol
SMILESOC1CC(c2ccccc2)OC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H16Cl2O2/c18-14-7-6-12(8-15(14)19)17-10-13(20)9-16(21-17)11-4-2-1-3-5-11/h1-8,13,16-17,20H,9-10H2
InChIKeyLFGJGKXOSQYKQA-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.95
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol

2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol (PubChem CID 15501037) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol
PubChem CID15501037
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol
SMILESOC1CC(c2ccccc2)OC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H16Cl2O2/c18-14-7-6-12(8-15(14)19)17-10-13(20)9-16(21-17)11-4-2-1-3-5-11/h1-8,13,16-17,20H,9-10H2
InChIKeyLFGJGKXOSQYKQA-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol (CID 15501037) is 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol is OC1CC(c2ccccc2)OC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol?
The InChIKey is LFGJGKXOSQYKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c18-14-7-6-12(8-15(14)19)17-10-13(20)9-16(21-17)11-4-2-1-3-5-11/h1-8,13,16-17,20H,9-10H2.
What are the key properties of 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol?
2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol has a molecular weight of 323.22 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-phenyloxan-4-ol is sourced from PubChem (CID 15501037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).