2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol

C18H18Cl2O2 — CID 15486790

IUPAC2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol
SMILESCc1ccc(C2CC(O)CC(c3ccc(Cl)c(Cl)c3)O2)cc1
InChIInChI=1S/C18H18Cl2O2/c1-11-2-4-12(5-3-11)17-9-14(21)10-18(22-17)13-6-7-15(19)16(20)8-13/h2-8,14,17-18,21H,9-10H2,1H3
InChIKeyMGKLGNOUHMBDQL-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.26
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol

2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol (PubChem CID 15486790) has the molecular formula C18H18Cl2O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol
PubChem CID15486790
Molecular FormulaC18H18Cl2O2
Molecular Weight337.25 g/mol
Exact Mass336.07
IUPAC Name2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol
SMILESCc1ccc(C2CC(O)CC(c3ccc(Cl)c(Cl)c3)O2)cc1
InChIInChI=1S/C18H18Cl2O2/c1-11-2-4-12(5-3-11)17-9-14(21)10-18(22-17)13-6-7-15(19)16(20)8-13/h2-8,14,17-18,21H,9-10H2,1H3
InChIKeyMGKLGNOUHMBDQL-UHFFFAOYSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.26
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-(4-methylphenyl)oxan-4-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol (CID 15486790) is 2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol is Cc1ccc(C2CC(O)CC(c3ccc(Cl)c(Cl)c3)O2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol?
The InChIKey is MGKLGNOUHMBDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2O2/c1-11-2-4-12(5-3-11)17-9-14(21)10-18(22-17)13-6-7-15(19)16(20)8-13/h2-8,14,17-18,21H,9-10H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol?
2-(3,4-dichlorophenyl)-6-(4-methylphenyl)oxan-4-ol has a molecular weight of 337.25 g/mol, XLogP of 5.26, 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-(4-methylphenyl)oxan-4-ol is sourced from PubChem (CID 15486790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).