(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol

C16H14Cl2O3 — CID 10734821

IUPAC(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol
SMILESOC(c1ccc(Cl)cc1)C1(c2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C16H14Cl2O3/c17-13-5-1-11(2-6-13)15(19)16(20-9-10-21-16)12-3-7-14(18)8-4-12/h1-8,15,19H,9-10H2
InChIKeyIEURICDDQIVMLU-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.93
Rot. Bonds3

About (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol

(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol (PubChem CID 10734821) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol
PubChem CID10734821
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol
SMILESOC(c1ccc(Cl)cc1)C1(c2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C16H14Cl2O3/c17-13-5-1-11(2-6-13)15(19)16(20-9-10-21-16)12-3-7-14(18)8-4-12/h1-8,15,19H,9-10H2
InChIKeyIEURICDDQIVMLU-UHFFFAOYSA-N
XLogP3.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol (CID 10734821) is (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol is OC(c1ccc(Cl)cc1)C1(c2ccc(Cl)cc2)OCCO1.
What is the InChIKey of (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is IEURICDDQIVMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c17-13-5-1-11(2-6-13)15(19)16(20-9-10-21-16)12-3-7-14(18)8-4-12/h1-8,15,19H,9-10H2.
What are the key properties of (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol?
(4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 325.19 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 10734821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).