4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol

C15H20Cl2O2 — CID 65149153

IUPAC4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(O)(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C15H20Cl2O2/c1-10(2)14-9-15(18,5-6-19-14)8-11-3-4-12(16)13(17)7-11/h3-4,7,10,14,18H,5-6,8-9H2,1-2H3
InChIKeyJQBBXVDGSKZJFU-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.10
Rot. Bonds3

About 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol

4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol (PubChem CID 65149153) has the molecular formula C15H20Cl2O2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol
PubChem CID65149153
Molecular FormulaC15H20Cl2O2
Molecular Weight303.23 g/mol
Exact Mass302.08
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol
SMILESCC(C)C1CC(O)(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C15H20Cl2O2/c1-10(2)14-9-15(18,5-6-19-14)8-11-3-4-12(16)13(17)7-11/h3-4,7,10,14,18H,5-6,8-9H2,1-2H3
InChIKeyJQBBXVDGSKZJFU-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol (CID 65149153) is 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol is CC(C)C1CC(O)(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol?
The InChIKey is JQBBXVDGSKZJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O2/c1-10(2)14-9-15(18,5-6-19-14)8-11-3-4-12(16)13(17)7-11/h3-4,7,10,14,18H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol?
4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol has a molecular weight of 303.23 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol is sourced from PubChem (CID 65149153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).